6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine

C11H18ClN3O — CID 102699925

IUPAC6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCOC(C)CNc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C11H18ClN3O/c1-7(2)9-10(12)14-6-15-11(9)13-5-8(3)16-4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyNLXMABMDXLBATK-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.70
Rot. Bonds5

About 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 102699925) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID102699925
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCOC(C)CNc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C11H18ClN3O/c1-7(2)9-10(12)14-6-15-11(9)13-5-8(3)16-4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyNLXMABMDXLBATK-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203057
6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257270
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193436
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine (CID 102699925) is 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine is COC(C)CNc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is NLXMABMDXLBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-7(2)9-10(12)14-6-15-11(9)13-5-8(3)16-4/h6-8H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 243.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102699925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).