4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C13H12Cl2N4 — CID 117101094

IUPAC4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccccc1Nc1nc(Cl)c2c(n1)CCNC2
InChIInChI=1S/C13H12Cl2N4/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,(H,17,18,19)
InChIKeyNTYVDNTXZKQGLT-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.17
Rot. Bonds2

About 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 117101094) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID117101094
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESClc1ccccc1Nc1nc(Cl)c2c(n1)CCNC2
InChIInChI=1S/C13H12Cl2N4/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,(H,17,18,19)
InChIKeyNTYVDNTXZKQGLT-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 117101313
2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101112
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;piperidine
CID 22708768
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
CID 117104513
3-[(4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-yl)amino]phenol
CID 117101285
4-chloro-2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117101154
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
N-(2-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101406
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 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 117101094) is 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is Clc1ccccc1Nc1nc(Cl)c2c(n1)CCNC2.
What is the InChIKey of 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is NTYVDNTXZKQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/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,(H,17,18,19).
What are the key properties of 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 295.17 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 117101094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).