N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C14H17N5 — CID 115144842

IUPACN-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccncc1)c1ncnc2c1CNCC2
InChIInChI=1S/C14H17N5/c1-19(9-11-2-5-15-6-3-11)14-12-8-16-7-4-13(12)17-10-18-14/h2-3,5-6,10,16H,4,7-9H2,1H3
InChIKeyLVBAFVMJRSNPED-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.15
Rot. Bonds3

About N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115144842) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115144842
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccncc1)c1ncnc2c1CNCC2
InChIInChI=1S/C14H17N5/c1-19(9-11-2-5-15-6-3-11)14-12-8-16-7-4-13(12)17-10-18-14/h2-3,5-6,10,16H,4,7-9H2,1H3
InChIKeyLVBAFVMJRSNPED-UHFFFAOYSA-N
XLogP1.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 81223557
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 81223644
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105415083
N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154889267
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 70727919
N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144787
N-(2-methylpropyl)-N-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223378
N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 138019220
N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223209
N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223554
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223294

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115144842) is N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(Cc1ccncc1)c1ncnc2c1CNCC2.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is LVBAFVMJRSNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-19(9-11-2-5-15-6-3-11)14-12-8-16-7-4-13(12)17-10-18-14/h2-3,5-6,10,16H,4,7-9H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115144842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).