[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C19H27N5O3 — CID 138635945

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCOCCN1CCN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)CC1
InChIInChI=1S/C19H27N5O3/c1-13-14(18(25)24-8-6-23(7-9-24)10-11-26-3)15-16(22-19(2)4-5-19)20-12-21-17(15)27-13/h12H,4-11H2,1-3H3,(H,20,21,22)
InChIKeyKMLNRYZSWWEHLC-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.90
Rot. Bonds6

About [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635945) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID138635945
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCOCCN1CCN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)CC1
InChIInChI=1S/C19H27N5O3/c1-13-14(18(25)24-8-6-23(7-9-24)10-11-26-3)15-16(22-19(2)4-5-19)20-12-21-17(15)27-13/h12H,4-11H2,1-3H3,(H,20,21,22)
InChIKeyKMLNRYZSWWEHLC-UHFFFAOYSA-N
XLogP1.90
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 164938832
2,5-dihydropyrrol-1-yl-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 167697060
[4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756797
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
2-methoxyethyl N-methyl-5-(methylideneamino)-1-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,6-dihydro-2H-pyridine-4-carboximidate
CID 166763383
[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635250
(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016
N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635366
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
(4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756752
[4-(cyclopropylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635765
[(1R,5S,6R)-1-iodo-5-methyl-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 170208120

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635945) is [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is COCCN1CCN(C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is KMLNRYZSWWEHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-14(18(25)24-8-6-23(7-9-24)10-11-26-3)15-16(22-19(2)4-5-19)20-12-21-17(15)27-13/h12H,4-11H2,1-3H3,(H,20,21,22).
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).