6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

C14H16ClN5 — CID 625687

IUPAC6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCN(Cc1cccc(Cl)c1)C2
InChIInChI=1S/C14H16ClN5/c15-10-3-1-2-9(6-10)7-20-5-4-12-11(8-20)13(16)19-14(17)18-12/h1-3,6H,4-5,7-8H2,(H4,16,17,18,19)
InChIKeyRMDURWWIHNFBTB-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.85
Rot. Bonds2

About 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 625687) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID625687
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2c(n1)CCN(Cc1cccc(Cl)c1)C2
InChIInChI=1S/C14H16ClN5/c15-10-3-1-2-9(6-10)7-20-5-4-12-11(8-20)13(16)19-14(17)18-12/h1-3,6H,4-5,7-8H2,(H4,16,17,18,19)
InChIKeyRMDURWWIHNFBTB-UHFFFAOYSA-N
XLogP1.85
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
7-[(3-chlorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 69329064
6-[(3-chlorophenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46346006
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
2-amino-6-benzyl-4-(3-methoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 19256869
2-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62192630
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
6-benzyl-2-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 71193037
2-benzyl-10-chloro-8-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
CID 121370928
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
N-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532221
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 625687) is 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2c(n1)CCN(Cc1cccc(Cl)c1)C2.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is RMDURWWIHNFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-10-3-1-2-9(6-10)7-20-5-4-12-11(8-20)13(16)19-14(17)18-12/h1-3,6H,4-5,7-8H2,(H4,16,17,18,19).
What are the key properties of 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 625687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).