N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C14H16N4 — CID 117101711

IUPACN-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H16N4/c1-2-4-11(5-3-1)8-16-14-12-6-7-15-9-13(12)17-10-18-14/h1-5,10,15H,6-9H2,(H,16,17,18)
InChIKeyNBEFGNPITCSXSD-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.73
Rot. Bonds3

About N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 117101711) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID117101711
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H16N4/c1-2-4-11(5-3-1)8-16-14-12-6-7-15-9-13(12)17-10-18-14/h1-5,10,15H,6-9H2,(H,16,17,18)
InChIKeyNBEFGNPITCSXSD-UHFFFAOYSA-N
XLogP1.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56755687
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741664
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154889602
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56749765
1-phenyl-2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethanol
CID 56900977
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102079
N-[[2-(trifluoromethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56886165
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56890220
3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
CID 117101697
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56882032

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 117101711) is N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3c2CCNC3)cc1.
What is the InChIKey of N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is NBEFGNPITCSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-11(5-3-1)8-16-14-12-6-7-15-9-13(12)17-10-18-14/h1-5,10,15H,6-9H2,(H,16,17,18).
What are the key properties of N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).