6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine

C16H14ClN5 — CID 171090415

IUPAC6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(Cc3cnccn3)cc2)ncn1
InChIInChI=1S/C16H14ClN5/c17-15-8-16(22-11-21-15)20-9-13-3-1-12(2-4-13)7-14-10-18-5-6-19-14/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeyMGUYVLALFUXJMR-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.12
Rot. Bonds5

About 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 171090415) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID171090415
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine
SMILESClc1cc(NCc2ccc(Cc3cnccn3)cc2)ncn1
InChIInChI=1S/C16H14ClN5/c17-15-8-16(22-11-21-15)20-9-13-3-1-12(2-4-13)7-14-10-18-5-6-19-14/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeyMGUYVLALFUXJMR-UHFFFAOYSA-N
XLogP3.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
6-chloro-N-[[4-(1,3-oxazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171089636
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
CID 131198007
6-chloro-N-[[4-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]pyrimidin-4-amine
CID 171090132
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
N-(pyrazin-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 155823149
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178029
4-[[(6-chloropyrimidin-4-yl)amino]methyl]-2,6-dimethylphenol
CID 171090096
6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
CID 171090359
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine (CID 171090415) is 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine is Clc1cc(NCc2ccc(Cc3cnccn3)cc2)ncn1.
What is the InChIKey of 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is MGUYVLALFUXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c17-15-8-16(22-11-21-15)20-9-13-3-1-12(2-4-13)7-14-10-18-5-6-19-14/h1-6,8,10-11H,7,9H2,(H,20,21,22).
What are the key properties of 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 311.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(pyrazin-2-ylmethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 171090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).