6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C16H15ClN6 — CID 118063119

IUPAC6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C16H15ClN6/c17-14-9-15(22-16(18)21-14)23(10-12-5-1-3-7-19-12)11-13-6-2-4-8-20-13/h1-9H,10-11H2,(H2,18,21,22)
InChIKeySYFPFTMYYZUQCF-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.71
Rot. Bonds5

About 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 118063119) has the molecular formula C16H15ClN6 and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID118063119
Molecular FormulaC16H15ClN6
Molecular Weight326.79 g/mol
Exact Mass326.10
IUPAC Name6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C16H15ClN6/c17-14-9-15(22-16(18)21-14)23(10-12-5-1-3-7-19-12)11-13-6-2-4-8-20-13/h1-9H,10-11H2,(H2,18,21,22)
InChIKeySYFPFTMYYZUQCF-UHFFFAOYSA-N
XLogP2.71
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
N,2-diethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80937399
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
6-chloro-4-N-(2-phenylethyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 133276601
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
N-ethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80927004
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 118063119) is 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(N(Cc2ccccn2)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SYFPFTMYYZUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6/c17-14-9-15(22-16(18)21-14)23(10-12-5-1-3-7-19-12)11-13-6-2-4-8-20-13/h1-9H,10-11H2,(H2,18,21,22).
What are the key properties of 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 326.79 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118063119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).