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

C19H25F2N5O — CID 143003498

IUPAC4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESFCC1(F)CCC(Nc2ncnc3cnc(NCC4CCCO4)cc23)CC1
InChIInChI=1S/C19H25F2N5O/c20-11-19(21)5-3-13(4-6-19)26-18-15-8-17(22-9-14-2-1-7-27-14)23-10-16(15)24-12-25-18/h8,10,12-14H,1-7,9,11H2,(H,22,23)(H,24,25,26)
InChIKeyKRXPBRMUPVGRTI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.65
Rot. Bonds6

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

4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 143003498) has the molecular formula C19H25F2N5O and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID143003498
Molecular FormulaC19H25F2N5O
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESFCC1(F)CCC(Nc2ncnc3cnc(NCC4CCCO4)cc23)CC1
InChIInChI=1S/C19H25F2N5O/c20-11-19(21)5-3-13(4-6-19)26-18-15-8-17(22-9-14-2-1-7-27-14)23-10-16(15)24-12-25-18/h8,10,12-14H,1-7,9,11H2,(H,22,23)(H,24,25,26)
InChIKeyKRXPBRMUPVGRTI-UHFFFAOYSA-N
XLogP3.65
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 72790873
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-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
6-N-(oxolan-2-ylmethyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 77233652
4-N-cyclooctyl-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 11164148
6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 11199539
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
5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
CID 46916183
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 143003498) is 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is FCC1(F)CCC(Nc2ncnc3cnc(NCC4CCCO4)cc23)CC1.
What is the InChIKey of 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is KRXPBRMUPVGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O/c20-11-19(21)5-3-13(4-6-19)26-18-15-8-17(22-9-14-2-1-7-27-14)23-10-16(15)24-12-25-18/h8,10,12-14H,1-7,9,11H2,(H,22,23)(H,24,25,26).
What are the key properties of 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 377.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-fluoro-4-(fluoromethyl)cyclohexyl]-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 143003498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).