5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine

C9H14ClN3O2 — CID 102975966

IUPAC5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
SMILESCOCC(CNc1ncncc1Cl)OC
InChIInChI=1S/C9H14ClN3O2/c1-14-5-7(15-2)3-12-9-8(10)4-11-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyIIRZEAQMOHLCAA-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.20
Rot. Bonds6

About 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine

5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine (PubChem CID 102975966) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
PubChem CID102975966
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
SMILESCOCC(CNc1ncncc1Cl)OC
InChIInChI=1S/C9H14ClN3O2/c1-14-5-7(15-2)3-12-9-8(10)4-11-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyIIRZEAQMOHLCAA-UHFFFAOYSA-N
XLogP1.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
CID 114102431
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine (CID 102975966) is 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine is COCC(CNc1ncncc1Cl)OC.
What is the InChIKey of 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine?
The InChIKey is IIRZEAQMOHLCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-14-5-7(15-2)3-12-9-8(10)4-11-6-13-9/h4,6-7H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine?
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine has a molecular weight of 231.68 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 102975966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).