N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine

C15H16N4S — CID 171701156

IUPACN,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccc(C)s2)c2ccncc2n1
InChIInChI=1S/C15H16N4S/c1-10-4-5-12(20-10)9-19(3)15-13-6-7-16-8-14(13)17-11(2)18-15/h4-8H,9H2,1-3H3
InChIKeyJDNPWVKEMPMIRI-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.34
Rot. Bonds3

About N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine

N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 171701156) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID171701156
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2ccc(C)s2)c2ccncc2n1
InChIInChI=1S/C15H16N4S/c1-10-4-5-12(20-10)9-19(3)15-13-6-7-16-8-14(13)17-11(2)18-15/h4-8H,9H2,1-3H3
InChIKeyJDNPWVKEMPMIRI-UHFFFAOYSA-N
XLogP3.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine (CID 171701156) is N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2ccc(C)s2)c2ccncc2n1.
What is the InChIKey of N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is JDNPWVKEMPMIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-4-5-12(20-10)9-19(3)15-13-6-7-16-8-14(13)17-11(2)18-15/h4-8H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine?
N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171701156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).