4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde

C10H14ClN3O2 — CID 66336656

IUPAC4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
SMILESCOCC(C)N(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O2/c1-7(5-16-3)14(2)10-8(4-15)9(11)12-6-13-10/h4,6-7H,5H2,1-3H3
InChIKeyZJMOUAHTKUVVAU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.41
Rot. Bonds5

About 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66336656) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
PubChem CID66336656
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
SMILESCOCC(C)N(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O2/c1-7(5-16-3)14(2)10-8(4-15)9(11)12-6-13-10/h4,6-7H,5H2,1-3H3
InChIKeyZJMOUAHTKUVVAU-UHFFFAOYSA-N
XLogP1.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde (CID 66336656) is 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde is COCC(C)N(C)c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is ZJMOUAHTKUVVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(5-16-3)14(2)10-8(4-15)9(11)12-6-13-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 243.69 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66336656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).