4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine

C7H10ClN3 — CID 62747252

IUPAC4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CCl)n1
InChIInChI=1S/C7H10ClN3/c1-11(2)7-9-4-3-6(5-8)10-7/h3-4H,5H2,1-2H3
InChIKeyNCAYGHJOMLYGQP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.28
Rot. Bonds2

About 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine

4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 62747252) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID62747252
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(CCl)n1
InChIInChI=1S/C7H10ClN3/c1-11(2)7-9-4-3-6(5-8)10-7/h3-4H,5H2,1-2H3
InChIKeyNCAYGHJOMLYGQP-UHFFFAOYSA-N
XLogP1.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 146107324
4-(2-chloropentyl)-N,N-dimethylpyrimidin-2-amine
CID 64829137
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
4-(chloromethyl)pyrimidin-2-amine
CID 20557938
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
CID 122354229
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
2-[2-(dimethylamino)pyrimidin-4-yl]-1-phenylethanone
CID 64831288
4-(2-amino-2-cyclopropylethyl)-N,N-dimethylpyrimidin-2-amine
CID 64830898
4-(2-bromo-2-phenylethyl)-N,N-dimethylpyrimidin-2-amine
CID 64829330
CID 175266137
CID 175266137
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine (CID 62747252) is 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is NCAYGHJOMLYGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-11(2)7-9-4-3-6(5-8)10-7/h3-4H,5H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine?
4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 171.63 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 62747252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).