2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C13H14ClN5 — CID 117101112

IUPAC2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2Cl)nc2c1CNCC2
InChIInChI=1S/C13H14ClN5/c14-9-3-1-2-4-11(9)18-13-17-10-5-6-16-7-8(10)12(15)19-13/h1-4,16H,5-7H2,(H3,15,17,18,19)
InChIKeyQUBAOZCDQNFDNI-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.10
Rot. Bonds2

About 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 117101112) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID117101112
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2Cl)nc2c1CNCC2
InChIInChI=1S/C13H14ClN5/c14-9-3-1-2-4-11(9)18-13-17-10-5-6-16-7-8(10)12(15)19-13/h1-4,16H,5-7H2,(H3,15,17,18,19)
InChIKeyQUBAOZCDQNFDNI-UHFFFAOYSA-N
XLogP2.10
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101094
4-chloro-N-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 117101313
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
2-N-(4-bromophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101061
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;piperidine
CID 22708768
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101008
N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
CID 117104513
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
CID 87457442
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
CID 88626934

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 117101112) is 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2Cl)nc2c1CNCC2.
What is the InChIKey of 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is QUBAOZCDQNFDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-9-3-1-2-4-11(9)18-13-17-10-5-6-16-7-8(10)12(15)19-13/h1-4,16H,5-7H2,(H3,15,17,18,19).
What are the key properties of 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 275.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 117101112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).