2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine

C18H33N5O2 — CID 161079387

IUPAC2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.Nc1nc(C(=O)NC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2.C8H19N/c11-10-13-7(5-8(15)14-10)9(16)12-6-3-1-2-4-6;1-6-9(7(2)3)8(4)5/h5-6H,1-4H2,(H,12,16)(H3,11,13,14,15);7-8H,6H2,1-5H3
InChIKeyUFSAWKGUPDCLKZ-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine

2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine (PubChem CID 161079387) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
PubChem CID161079387
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
SMILESCCN(C(C)C)C(C)C.Nc1nc(C(=O)NC2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O2.C8H19N/c11-10-13-7(5-8(15)14-10)9(16)12-6-3-1-2-4-6;1-6-9(7(2)3)8(4)5/h5-6H,1-4H2,(H,12,16)(H3,11,13,14,15);7-8H,6H2,1-5H3
InChIKeyUFSAWKGUPDCLKZ-UHFFFAOYSA-N
XLogP2.15
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

N-cyclopentyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45496937
N-(4,4-difluoropiperidin-3-yl)-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137999936
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451
trimethyl-[5-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl-[3-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl-[5-(trimethylazaniumyl)pentyl]amino]propyl]amino]pentyl]azanium
CID 136135362
trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium
CID 136135369
2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136400583
5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium
CID 136627686
5-(dimethylamino)pentyl-methyl-[3-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]azanium
CID 136630335
trimethyl-[5-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl-[3-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl-pentylamino]propyl]amino]pentyl]azanium
CID 138741478
dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium
CID 143920290
ethane;1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[methyl(pentyl)amino]propyl]urea
CID 143920293
2-[2-Amino-4-ethyl-6-oxo-1(6H)-pyrimidinyl]-N-cyclopentylacetamide
CID 53201755

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine (CID 161079387) is 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine is CCN(C(C)C)C(C)C.Nc1nc(C(=O)NC2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?
The InChIKey is UFSAWKGUPDCLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.C8H19N/c11-10-13-7(5-8(15)14-10)9(16)12-6-3-1-2-4-6;1-6-9(7(2)3)8(4)5/h5-6H,1-4H2,(H,12,16)(H3,11,13,14,15);7-8H,6H2,1-5H3.
What are the key properties of 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine?
2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine has a molecular weight of 351.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 161079387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).