5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine

C9H14ClN3O — CID 105369462

IUPAC5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyWTWRIQHLACOGBO-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.97
Rot. Bonds5

About 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine

5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 105369462) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID105369462
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyWTWRIQHLACOGBO-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
N-(4-chlorobutan-2-yl)-5-iodopyrimidin-4-amine
CID 83187749
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine (CID 105369462) is 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine is COCCC(C)Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is WTWRIQHLACOGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(3-4-14-2)13-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine?
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 215.68 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 105369462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).