5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine

C9H14ClN3O2 — CID 80879542

IUPAC5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC(C)COC)n1
InChIInChI=1S/C9H14ClN3O2/c1-6(5-14-3)15-8-7(10)4-12-9(11-2)13-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyYUULETBRNRTTOW-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.59
Rot. Bonds5

About 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine

5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine (PubChem CID 80879542) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
PubChem CID80879542
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(OC(C)COC)n1
InChIInChI=1S/C9H14ClN3O2/c1-6(5-14-3)15-8-7(10)4-12-9(11-2)13-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyYUULETBRNRTTOW-UHFFFAOYSA-N
XLogP1.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
CID 102749696
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
4-(1-ethoxypropan-2-yloxy)-N,5-dimethylpyrimidin-2-amine
CID 103491515
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
(5-chloro-4-propan-2-yloxypyrimidin-2-yl)hydrazine
CID 80913433
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
4-(4-butan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 107669596
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
[5-chloro-4-(2-methylpropoxy)pyrimidin-2-yl]hydrazine
CID 80912202
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
CID 107765747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine (CID 80879542) is 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(OC(C)COC)n1.
What is the InChIKey of 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine?
The InChIKey is YUULETBRNRTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-6(5-14-3)15-8-7(10)4-12-9(11-2)13-8/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine?
5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine has a molecular weight of 231.68 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80879542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).