5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

C9H14ClN3O — CID 105369448

IUPAC5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1ncncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-7(5-14-2)13-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyDCHQGQHLGHRHMR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.97
Rot. Bonds5

About 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 105369448) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID105369448
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1ncncc1Cl
InChIInChI=1S/C9H14ClN3O/c1-3-7(5-14-2)13-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyDCHQGQHLGHRHMR-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-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
5-iodo-N-pentan-3-ylpyrimidin-4-amine
CID 65417577
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (CID 105369448) is 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine is CCC(COC)Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is DCHQGQHLGHRHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-7(5-14-2)13-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
5-chloro-N-(1-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-(1-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 105369448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).