4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine

C17H25N5O — CID 97101821

IUPAC4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCC1(CC)[C@@H](N(C)c2ncnc3nc(N)ccc23)C[C@H]1OC
InChIInChI=1S/C17H25N5O/c1-5-17(6-2)12(9-13(17)23-4)22(3)16-11-7-8-14(18)21-15(11)19-10-20-16/h7-8,10,12-13H,5-6,9H2,1-4H3,(H2,18,19,20,21)/t12-,13+/m0/s1
InChIKeyFOKMTMWHWKEZIY-QWHCGFSZSA-N
MW315.42 g/mol
LogP2.64
Rot. Bonds5

About 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 97101821) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID97101821
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCCC1(CC)[C@@H](N(C)c2ncnc3nc(N)ccc23)C[C@H]1OC
InChIInChI=1S/C17H25N5O/c1-5-17(6-2)12(9-13(17)23-4)22(3)16-11-7-8-14(18)21-15(11)19-10-20-16/h7-8,10,12-13H,5-6,9H2,1-4H3,(H2,18,19,20,21)/t12-,13+/m0/s1
InChIKeyFOKMTMWHWKEZIY-QWHCGFSZSA-N
XLogP2.64
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-bis(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 127655233
4-N-butyl-4-N-ethylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407373
4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407492
N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide
CID 97096634
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
3-[[[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-methylamino]methyl]-5-propyl-1,3,4-oxadiazol-2-one
CID 100910389
N-(3-ethoxyspiro[3.3]heptan-1-yl)-6-fluoro-N-methylquinazolin-4-amine
CID 133443597
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447
methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 95775292

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine (CID 97101821) is 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine is CCC1(CC)[C@@H](N(C)c2ncnc3nc(N)ccc23)C[C@H]1OC.
What is the InChIKey of 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is FOKMTMWHWKEZIY-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-17(6-2)12(9-13(17)23-4)22(3)16-11-7-8-14(18)21-15(11)19-10-20-16/h7-8,10,12-13H,5-6,9H2,1-4H3,(H2,18,19,20,21)/t12-,13+/m0/s1.
What are the key properties of 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 315.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-4-N-methylpyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 97101821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).