4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C18H25N5O — CID 72790873

IUPAC4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)c2cc(NCC3CCCO3)ncc2n1
InChIInChI=1S/C18H25N5O/c1-2-5-13(6-3-1)23-18-15-9-17(19-10-14-7-4-8-24-14)20-11-16(15)21-12-22-18/h9,11-14H,1-8,10H2,(H,19,20)(H,21,22,23)
InChIKeyGZHHXATYTWENKK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.36
Rot. Bonds5

About 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 72790873) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID72790873
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESc1nc(NC2CCCCC2)c2cc(NCC3CCCO3)ncc2n1
InChIInChI=1S/C18H25N5O/c1-2-5-13(6-3-1)23-18-15-9-17(19-10-14-7-4-8-24-14)20-11-16(15)21-12-22-18/h9,11-14H,1-8,10H2,(H,19,20)(H,21,22,23)
InChIKeyGZHHXATYTWENKK-UHFFFAOYSA-N
XLogP3.36
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 143003498
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-cyclooctyl-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 11164148
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 72790873) is 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is c1nc(NC2CCCCC2)c2cc(NCC3CCCO3)ncc2n1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is GZHHXATYTWENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-5-13(6-3-1)23-18-15-9-17(19-10-14-7-4-8-24-14)20-11-16(15)21-12-22-18/h9,11-14H,1-8,10H2,(H,19,20)(H,21,22,23).
What are the key properties of 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 327.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 72790873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).