2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one

C18H30N6O2 — CID 91962001

IUPAC2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(NCCCN2CCOCC2)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C18H30N6O2/c1-12(2)11-14-18(25)23-15-16(20-13(3)21-17(15)22-14)19-5-4-6-24-7-9-26-10-8-24/h12,14H,4-11H2,1-3H3,(H,23,25)(H2,19,20,21,22)
InChIKeyOWGZEVSEUQXIPL-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.70
Rot. Bonds7

About 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one

2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91962001) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
PubChem CID91962001
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(NCCCN2CCOCC2)c2c(n1)NC(CC(C)C)C(=O)N2
InChIInChI=1S/C18H30N6O2/c1-12(2)11-14-18(25)23-15-16(20-13(3)21-17(15)22-14)19-5-4-6-24-7-9-26-10-8-24/h12,14H,4-11H2,1-3H3,(H,23,25)(H2,19,20,21,22)
InChIKeyOWGZEVSEUQXIPL-UHFFFAOYSA-N
XLogP1.70
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-[(1R)-1-hydroxyethyl]-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one
CID 11823900
6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
(9S)-9-(2-methylpropyl)-3-pentyl-15-oxa-3,8,11-triazaspiro[5.13]nonadecane-7,10-dione
CID 110073839
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
N-cyclopropyl-5-methyl-4-(3-morpholin-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 29088094
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one (CID 91962001) is 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one is Cc1nc(NCCCN2CCOCC2)c2c(n1)NC(CC(C)C)C(=O)N2.
What is the InChIKey of 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is OWGZEVSEUQXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-12(2)11-14-18(25)23-15-16(20-13(3)21-17(15)22-14)19-5-4-6-24-7-9-26-10-8-24/h12,14H,4-11H2,1-3H3,(H,23,25)(H2,19,20,21,22).
What are the key properties of 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one?
2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 362.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-methylpropyl)-4-(3-morpholin-4-ylpropylamino)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91962001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).