4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde

C15H23N5O2 — CID 109254354

IUPAC4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)c1ncc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C15H23N5O2/c1-3-4-5-18(2)15-16-10-13(11-17-15)14(22)20-8-6-19(12-21)7-9-20/h10-12H,3-9H2,1-2H3
InChIKeyPVFLSFUVYGUDRT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.63
Rot. Bonds6

About 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde

4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109254354) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
PubChem CID109254354
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
SMILESCCCCN(C)c1ncc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C15H23N5O2/c1-3-4-5-18(2)15-16-10-13(11-17-15)14(22)20-8-6-19(12-21)7-9-20/h10-12H,3-9H2,1-2H3
InChIKeyPVFLSFUVYGUDRT-UHFFFAOYSA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
4-[6-[butyl(methyl)amino]-2-phenylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 112853871
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
4-[2-[4-(diethylamino)anilino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254421
[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230121
4-[2-[butyl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 108995940
4-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109254496
N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
CID 21367512
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669

Frequently Asked Questions

What is the IUPAC name of 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde (CID 109254354) is 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde is CCCCN(C)c1ncc(C(=O)N2CCN(C=O)CC2)cn1.
What is the InChIKey of 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is PVFLSFUVYGUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-4-5-18(2)15-16-10-13(11-17-15)14(22)20-8-6-19(12-21)7-9-20/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde?
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 305.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109254354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).