4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C18H22N6O — CID 124514317

IUPAC4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1ccc([C@H](CNc2ncnc3nc(N)ccc23)N2CCCC2)o1
InChIInChI=1S/C18H22N6O/c1-12-4-6-15(25-12)14(24-8-2-3-9-24)10-20-17-13-5-7-16(19)23-18(13)22-11-21-17/h4-7,11,14H,2-3,8-10H2,1H3,(H3,19,20,21,22,23)/t14-/m0/s1
InChIKeyGQVXCCXPNUTAPU-AWEZNQCLSA-N
MW338.42 g/mol
LogP2.76
Rot. Bonds5

About 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 124514317) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID124514317
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCc1ccc([C@H](CNc2ncnc3nc(N)ccc23)N2CCCC2)o1
InChIInChI=1S/C18H22N6O/c1-12-4-6-15(25-12)14(24-8-2-3-9-24)10-20-17-13-5-7-16(19)23-18(13)22-11-21-17/h4-7,11,14H,2-3,8-10H2,1H3,(H3,19,20,21,22,23)/t14-/m0/s1
InChIKeyGQVXCCXPNUTAPU-AWEZNQCLSA-N
XLogP2.76
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

4-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 86805430
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17393784
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 31882277
4-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154866636
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 133396318
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
6-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430906
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627027
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107148

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 124514317) is 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Cc1ccc([C@H](CNc2ncnc3nc(N)ccc23)N2CCCC2)o1.
What is the InChIKey of 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is GQVXCCXPNUTAPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-4-6-15(25-12)14(24-8-2-3-9-24)10-20-17-13-5-7-16(19)23-18(13)22-11-21-17/h4-7,11,14H,2-3,8-10H2,1H3,(H3,19,20,21,22,23)/t14-/m0/s1.
What are the key properties of 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 338.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 124514317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).