N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine

C9H14ClN3 — CID 104555444

IUPACN-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)C(C)CCl)n1
InChIInChI=1S/C9H14ClN3/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6H2,1-3H3
InChIKeyMGPZRAODHLJTTK-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.85
Rot. Bonds3

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

N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 104555444) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID104555444
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)C(C)CCl)n1
InChIInChI=1S/C9H14ClN3/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6H2,1-3H3
InChIKeyMGPZRAODHLJTTK-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.85
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-N-methyl-2-N-(2-methylpyrimidin-4-yl)propane-1,2-diamine
CID 82503810
N-(1-chloropropan-2-yl)-6-ethoxy-N,2-dimethylpyrimidin-4-amine
CID 104555389
N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 63392490
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
CID 63392200
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 130588443
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
N,2-dimethyl-N-(2,3,4,5,6-pentamethylphenyl)pyrimidin-4-amine
CID 20680494
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
CID 104555420
N-(1-chloropropan-2-yl)-N-methylfuro[3,2-c]pyridin-4-amine
CID 106535724
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557123
N-(1-chloropropan-2-yl)-N,3-dimethylquinoxalin-2-amine
CID 104555379
4-(3-chlorobutan-2-yl)-2-methylpyrimidine
CID 63203304

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine (CID 104555444) is N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine is Cc1nccc(N(C)C(C)CCl)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is MGPZRAODHLJTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(6-10)13(3)9-4-5-11-8(2)12-9/h4-5,7H,6H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine?
N-(1-chloropropan-2-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 1.85, 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,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 104555444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).