N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine

C10H16ClN3 — CID 104555420

IUPACN-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)C(C)CCl)n1
InChIInChI=1S/C10H16ClN3/c1-7-5-8(2)13-10(12-7)14(4)9(3)6-11/h5,9H,6H2,1-4H3
InChIKeyMPAZFUJCNTXIIT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.16
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine

N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 104555420) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
PubChem CID104555420
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)C(C)CCl)n1
InChIInChI=1S/C10H16ClN3/c1-7-5-8(2)13-10(12-7)14(4)9(3)6-11/h5,9H,6H2,1-4H3
InChIKeyMPAZFUJCNTXIIT-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.16
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-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
[6-methyl-2-[methyl(propan-2-yl)amino]pyrimidin-4-yl]methanol
CID 130485751
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
CID 113491416
N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 104555444
N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine
CID 104555389
N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
CID 104555379
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
CID 97237931
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 130588443
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine (CID 104555420) is N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)C(C)CCl)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is MPAZFUJCNTXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7-5-8(2)13-10(12-7)14(4)9(3)6-11/h5,9H,6H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine?
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 104555420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).