N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine

C10H16ClN3 — CID 130512726

IUPACN-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1nc(C)cc(NCC(C)Cl)n1
InChIInChI=1S/C10H16ClN3/c1-4-9-13-8(3)5-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyJKCYUWISNGCLKP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.39
Rot. Bonds4

About N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine

N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine (PubChem CID 130512726) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
PubChem CID130512726
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1nc(C)cc(NCC(C)Cl)n1
InChIInChI=1S/C10H16ClN3/c1-4-9-13-8(3)5-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyJKCYUWISNGCLKP-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]methanol
CID 130917983
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114276539
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
2,4-diethyl-6-methylpyrimidine
CID 45080276

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine (CID 130512726) is N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine is CCc1nc(C)cc(NCC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is JKCYUWISNGCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-4-9-13-8(3)5-10(14-9)12-6-7(2)11/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine?
N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 130512726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).