N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

C16H17N7 — CID 172881962

IUPACN-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(N2CC(N(C)c3ncnc4cnccc34)C2)ncn1
InChIInChI=1S/C16H17N7/c1-11-5-15(20-9-18-11)23-7-12(8-23)22(2)16-13-3-4-17-6-14(13)19-10-21-16/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeySKKOXARXJFGSMC-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 172881962) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID172881962
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC NameN-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cc(N2CC(N(C)c3ncnc4cnccc34)C2)ncn1
InChIInChI=1S/C16H17N7/c1-11-5-15(20-9-18-11)23-7-12(8-23)22(2)16-13-3-4-17-6-14(13)19-10-21-16/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeySKKOXARXJFGSMC-UHFFFAOYSA-N
XLogP1.45
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
4-Anilino quinazoline deriv. 18
CID 5328017
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
4-N-phenylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328051
4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328073
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 172881962) is N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is Cc1cc(N2CC(N(C)c3ncnc4cnccc34)C2)ncn1.
What is the InChIKey of N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SKKOXARXJFGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c1-11-5-15(20-9-18-11)23-7-12(8-23)22(2)16-13-3-4-17-6-14(13)19-10-21-16/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(6-methylpyrimidin-4-yl)azetidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 172881962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).