4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C17H21N5O2 — CID 66576396

IUPAC4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1Nc1ccccc1
InChIInChI=1S/C17H21N5O2/c18-15(24)14-10-19-17(21-12-6-8-13(23)9-7-12)22-16(14)20-11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyHBVKYTFESIYABI-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.03
Rot. Bonds5

About 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 66576396) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID66576396
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1Nc1ccccc1
InChIInChI=1S/C17H21N5O2/c18-15(24)14-10-19-17(21-12-6-8-13(23)9-7-12)22-16(14)20-11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyHBVKYTFESIYABI-UHFFFAOYSA-N
XLogP2.03
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 66576396) is 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(O)CC2)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is HBVKYTFESIYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-15(24)14-10-19-17(21-12-6-8-13(23)9-7-12)22-16(14)20-11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66576396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).