4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine

C13H17N5 — CID 66670014

IUPAC4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
SMILESCN(C)Cc1cccc(Nc2cc(N)ncn2)c1
InChIInChI=1S/C13H17N5/c1-18(2)8-10-4-3-5-11(6-10)17-13-7-12(14)15-9-16-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyIYSTUMSUFZKMGY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.86
Rot. Bonds4

About 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine

4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine (PubChem CID 66670014) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
PubChem CID66670014
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
SMILESCN(C)Cc1cccc(Nc2cc(N)ncn2)c1
InChIInChI=1S/C13H17N5/c1-18(2)8-10-4-3-5-11(6-10)17-13-7-12(14)15-9-16-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyIYSTUMSUFZKMGY-UHFFFAOYSA-N
XLogP1.86
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
CID 174299502
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491
4-N-benzyl-6-N-(3-bromophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859531
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 174295030
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine (CID 66670014) is 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine is CN(C)Cc1cccc(Nc2cc(N)ncn2)c1.
What is the InChIKey of 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine?
The InChIKey is IYSTUMSUFZKMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(2)8-10-4-3-5-11(6-10)17-13-7-12(14)15-9-16-13/h3-7,9H,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine?
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 66670014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).