N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C13H16N4O — CID 53215343

IUPACN-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CCc2nc(NCc3ccco3)ncc2C1
InChIInChI=1S/C13H16N4O/c1-17-5-4-12-10(9-17)7-14-13(16-12)15-8-11-3-2-6-18-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16)
InChIKeyVREFYTCJRPBCKF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.67
Rot. Bonds3

About N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 53215343) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID53215343
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CCc2nc(NCc3ccco3)ncc2C1
InChIInChI=1S/C13H16N4O/c1-17-5-4-12-10(9-17)7-14-13(16-12)15-8-11-3-2-6-18-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16)
InChIKeyVREFYTCJRPBCKF-UHFFFAOYSA-N
XLogP1.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 121208882
9-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]purin-2-amine
CID 162629517
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94031247
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 58039571
N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83830462
N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 106821023
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356
5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 163315348
2,3-dihydroindol-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109255112

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 53215343) is N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CN1CCc2nc(NCc3ccco3)ncc2C1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is VREFYTCJRPBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-5-4-12-10(9-17)7-14-13(16-12)15-8-11-3-2-6-18-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 53215343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).