6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

C19H22N6O3S — CID 129090882

IUPAC6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N2CCN(C(=O)C3CC3)CC2)ncn1)c1ncc(C=O)s1
InChIInChI=1S/C19H22N6O3S/c1-12(18-20-9-14(10-26)29-18)23-17(27)15-8-16(22-11-21-15)24-4-6-25(7-5-24)19(28)13-2-3-13/h8-13H,2-7H2,1H3,(H,23,27)
InChIKeyMGYWCRNPYKJXDN-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.30
Rot. Bonds6

About 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 129090882) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID129090882
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(N2CCN(C(=O)C3CC3)CC2)ncn1)c1ncc(C=O)s1
InChIInChI=1S/C19H22N6O3S/c1-12(18-20-9-14(10-26)29-18)23-17(27)15-8-16(22-11-21-15)24-4-6-25(7-5-24)19(28)13-2-3-13/h8-13H,2-7H2,1H3,(H,23,27)
InChIKeyMGYWCRNPYKJXDN-UHFFFAOYSA-N
XLogP1.30
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (CID 129090882) is 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is CC(NC(=O)c1cc(N2CCN(C(=O)C3CC3)CC2)ncn1)c1ncc(C=O)s1.
What is the InChIKey of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is MGYWCRNPYKJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-12(18-20-9-14(10-26)29-18)23-17(27)15-8-16(22-11-21-15)24-4-6-25(7-5-24)19(28)13-2-3-13/h8-13H,2-7H2,1H3,(H,23,27).
What are the key properties of 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 129090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).