2-(1-methoxypropyl)pyrimidine-5-carbaldehyde

C9H12N2O2 — CID 116731013

IUPAC2-(1-methoxypropyl)pyrimidine-5-carbaldehyde
SMILESCCC(OC)c1ncc(C=O)cn1
InChIInChI=1S/C9H12N2O2/c1-3-8(13-2)9-10-4-7(6-12)5-11-9/h4-6,8H,3H2,1-2H3
InChIKeyMMMCHHOJFZSCCZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.39
Rot. Bonds4

About 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde

2-(1-methoxypropyl)pyrimidine-5-carbaldehyde (PubChem CID 116731013) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-methoxypropyl)pyrimidine-5-carbaldehyde
PubChem CID116731013
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-methoxypropyl)pyrimidine-5-carbaldehyde
SMILESCCC(OC)c1ncc(C=O)cn1
InChIInChI=1S/C9H12N2O2/c1-3-8(13-2)9-10-4-7(6-12)5-11-9/h4-6,8H,3H2,1-2H3
InChIKeyMMMCHHOJFZSCCZ-UHFFFAOYSA-N
XLogP1.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 116731262
1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
2-(3-methoxypentan-3-yl)pyrimidine-5-carbaldehyde
CID 116778403
4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
CID 116734138
2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 116728284
4,6-dibromo-2-(1-methoxypropyl)pyrimidine
CID 116706768
[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
CID 116731217
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
2-(5-fluoropyrimidin-2-yl)-2-methoxyethanamine;hydrochloride
CID 69262937

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde (CID 116731013) is 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde is CCC(OC)c1ncc(C=O)cn1.
What is the InChIKey of 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde?
The InChIKey is MMMCHHOJFZSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-8(13-2)9-10-4-7(6-12)5-11-9/h4-6,8H,3H2,1-2H3.
What are the key properties of 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde?
2-(1-methoxypropyl)pyrimidine-5-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 116731013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).