N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C19H33N5O2 — CID 72793252

IUPACN-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCCC)nc1NC1CCC(O)CC1
InChIInChI=1S/C19H33N5O2/c1-3-5-11-20-18(26)16-13-22-19(21-12-6-4-2)24-17(16)23-14-7-9-15(25)10-8-14/h13-15,25H,3-12H2,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyVAWPQSJYRPQHIP-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.93
Rot. Bonds10

About N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 72793252) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID72793252
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCCCC)nc1NC1CCC(O)CC1
InChIInChI=1S/C19H33N5O2/c1-3-5-11-20-18(26)16-13-22-19(21-12-6-4-2)24-17(16)23-14-7-9-15(25)10-8-14/h13-15,25H,3-12H2,1-2H3,(H,20,26)(H2,21,22,23,24)
InChIKeyVAWPQSJYRPQHIP-UHFFFAOYSA-N
XLogP2.93
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 72793252) is N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(NCCCC)nc1NC1CCC(O)CC1.
What is the InChIKey of N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is VAWPQSJYRPQHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-5-11-20-18(26)16-13-22-19(21-12-6-4-2)24-17(16)23-14-7-9-15(25)10-8-14/h13-15,25H,3-12H2,1-2H3,(H,20,26)(H2,21,22,23,24).
What are the key properties of N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 72793252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).