4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine

C12H13ClN4 — CID 87840159

IUPAC4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine
SMILESCN(C)c1ccc(-c2ncnc(Cl)c2N)cc1
InChIInChI=1S/C12H13ClN4/c1-17(2)9-5-3-8(4-6-9)11-10(14)12(13)16-7-15-11/h3-7H,14H2,1-2H3
InChIKeyBNJMJMVRVBEQAS-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine

4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine (PubChem CID 87840159) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine
PubChem CID87840159
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine
SMILESCN(C)c1ccc(-c2ncnc(Cl)c2N)cc1
InChIInChI=1S/C12H13ClN4/c1-17(2)9-5-3-8(4-6-9)11-10(14)12(13)16-7-15-11/h3-7H,14H2,1-2H3
InChIKeyBNJMJMVRVBEQAS-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine (CID 87840159) is 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine is CN(C)c1ccc(-c2ncnc(Cl)c2N)cc1.
What is the InChIKey of 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine?
The InChIKey is BNJMJMVRVBEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-17(2)9-5-3-8(4-6-9)11-10(14)12(13)16-7-15-11/h3-7H,14H2,1-2H3.
What are the key properties of 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine?
4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine has a molecular weight of 248.72 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(dimethylamino)phenyl]pyrimidin-5-amine is sourced from PubChem (CID 87840159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).