4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine

C16H14ClN3 — CID 3154203

IUPAC4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-14(15(17)20-16(18)19-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyKCVHWCWVJLPEMD-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.76
Rot. Bonds2

About 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine

4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine (PubChem CID 3154203) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine
PubChem CID3154203
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N)nc(Cl)c1Cc1cccc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-10-14(15(17)20-16(18)19-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyKCVHWCWVJLPEMD-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine (CID 3154203) is 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine is Cc1nc(N)nc(Cl)c1Cc1cccc2ccccc12.
What is the InChIKey of 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
The InChIKey is KCVHWCWVJLPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-14(15(17)20-16(18)19-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine?
4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 3154203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).