4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C16H24N4O3 — CID 70687944

IUPAC4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(OCC2CCCC2)ncc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c17-14-13(15(21)18-8-12-6-3-7-22-12)9-19-16(20-14)23-10-11-4-1-2-5-11/h9,11-12H,1-8,10H2,(H,18,21)(H2,17,19,20)
InChIKeyASAHBVROMJTWTE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 70687944) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID70687944
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESNc1nc(OCC2CCCC2)ncc1C(=O)NCC1CCCO1
InChIInChI=1S/C16H24N4O3/c17-14-13(15(21)18-8-12-6-3-7-22-12)9-19-16(20-14)23-10-11-4-1-2-5-11/h9,11-12H,1-8,10H2,(H,18,21)(H2,17,19,20)
InChIKeyASAHBVROMJTWTE-UHFFFAOYSA-N
XLogP1.54
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 70687944) is 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is Nc1nc(OCC2CCCC2)ncc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is ASAHBVROMJTWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-14-13(15(21)18-8-12-6-3-7-22-12)9-19-16(20-14)23-10-11-4-1-2-5-11/h9,11-12H,1-8,10H2,(H,18,21)(H2,17,19,20).
What are the key properties of 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopentylmethoxy)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 70687944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).