4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide

C19H28N8O — CID 167866568

IUPAC4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide
SMILESCn1cc(NC(=O)c2cncnc2NC2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C19H28N8O/c1-26-12-17(24-25-26)23-19(28)16-11-20-13-21-18(16)22-14-7-9-27(10-8-14)15-5-3-2-4-6-15/h11-15H,2-10H2,1H3,(H,23,28)(H,20,21,22)
InChIKeyVUCPCBQRBXHZQH-UHFFFAOYSA-N
MW384.49 g/mol
LogP2.07
Rot. Bonds5

About 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide

4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide (PubChem CID 167866568) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide
PubChem CID167866568
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide
SMILESCn1cc(NC(=O)c2cncnc2NC2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C19H28N8O/c1-26-12-17(24-25-26)23-19(28)16-11-20-13-21-18(16)22-14-7-9-27(10-8-14)15-5-3-2-4-6-15/h11-15H,2-10H2,1H3,(H,23,28)(H,20,21,22)
InChIKeyVUCPCBQRBXHZQH-UHFFFAOYSA-N
XLogP2.07
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide (CID 167866568) is 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide is Cn1cc(NC(=O)c2cncnc2NC2CCN(C3CCCCC3)CC2)nn1.
What is the InChIKey of 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide?
The InChIKey is VUCPCBQRBXHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-26-12-17(24-25-26)23-19(28)16-11-20-13-21-18(16)22-14-7-9-27(10-8-14)15-5-3-2-4-6-15/h11-15H,2-10H2,1H3,(H,23,28)(H,20,21,22).
What are the key properties of 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide?
4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylpiperidin-4-yl)amino]-N-(1-methyltriazol-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167866568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).