4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

C17H27N5O3 — CID 126802002

IUPAC4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CCCC2)ncc1C(=O)NCC(O)CN1CCOCC1
InChIInChI=1S/C17H27N5O3/c18-15-14(10-19-16(21-15)12-3-1-2-4-12)17(24)20-9-13(23)11-22-5-7-25-8-6-22/h10,12-13,23H,1-9,11H2,(H,20,24)(H2,18,19,21)
InChIKeyUDVYSEOLIBKIDE-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.14
Rot. Bonds6

About 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide

4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide (PubChem CID 126802002) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
PubChem CID126802002
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide
SMILESNc1nc(C2CCCC2)ncc1C(=O)NCC(O)CN1CCOCC1
InChIInChI=1S/C17H27N5O3/c18-15-14(10-19-16(21-15)12-3-1-2-4-12)17(24)20-9-13(23)11-22-5-7-25-8-6-22/h10,12-13,23H,1-9,11H2,(H,20,24)(H2,18,19,21)
InChIKeyUDVYSEOLIBKIDE-UHFFFAOYSA-N
XLogP0.14
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide (CID 126802002) is 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide is Nc1nc(C2CCCC2)ncc1C(=O)NCC(O)CN1CCOCC1.
What is the InChIKey of 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
The InChIKey is UDVYSEOLIBKIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c18-15-14(10-19-16(21-15)12-3-1-2-4-12)17(24)20-9-13(23)11-22-5-7-25-8-6-22/h10,12-13,23H,1-9,11H2,(H,20,24)(H2,18,19,21).
What are the key properties of 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide?
4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 126802002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).