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

C20H23N7O2 — CID 164938832

IUPAC[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N7O2/c1-13-14(15-16(25-20(2)4-5-20)23-12-24-17(15)29-13)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,23,24,25)
InChIKeyIVFNZNKWBNFAML-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.25
Rot. Bonds4

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

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 164938832) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID164938832
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N7O2/c1-13-14(15-16(25-20(2)4-5-20)23-12-24-17(15)29-13)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,23,24,25)
InChIKeyIVFNZNKWBNFAML-UHFFFAOYSA-N
XLogP2.25
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 164938832) is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IVFNZNKWBNFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-14(15-16(25-20(2)4-5-20)23-12-24-17(15)29-13)18(28)26-8-10-27(11-9-26)19-21-6-3-7-22-19/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,23,24,25).
What are the key properties of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 393.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 164938832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).