5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine

C9H14ClN3 — CID 130703075

IUPAC5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine
SMILESCCN(c1ncc(Cl)cn1)C(C)C
InChIInChI=1S/C9H14ClN3/c1-4-13(7(2)3)9-11-5-8(10)6-12-9/h5-7H,4H2,1-3H3
InChIKeyJUQPXNRNWIGIJM-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.36
Rot. Bonds3

About 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine

5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 130703075) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID130703075
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine
SMILESCCN(c1ncc(Cl)cn1)C(C)C
InChIInChI=1S/C9H14ClN3/c1-4-13(7(2)3)9-11-5-8(10)6-12-9/h5-7H,4H2,1-3H3
InChIKeyJUQPXNRNWIGIJM-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155607065
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 133356912
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
2-N-[5-(chloromethyl)pyrimidin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189857
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-[(5-chloropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 79557173
6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine (CID 130703075) is 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine is CCN(c1ncc(Cl)cn1)C(C)C.
What is the InChIKey of 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is JUQPXNRNWIGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-4-13(7(2)3)9-11-5-8(10)6-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine?
5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 199.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 130703075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).