N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide

C11H16N4O — CID 106121781

IUPACN-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide
SMILESNC1CCC(CNC(=O)c2cncnc2)C1
InChIInChI=1S/C11H16N4O/c12-10-2-1-8(3-10)4-15-11(16)9-5-13-7-14-6-9/h5-8,10H,1-4,12H2,(H,15,16)
InChIKeyUPYSAGKIQSLRHI-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.33
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide

N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide (PubChem CID 106121781) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide
PubChem CID106121781
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide
SMILESNC1CCC(CNC(=O)c2cncnc2)C1
InChIInChI=1S/C11H16N4O/c12-10-2-1-8(3-10)4-15-11(16)9-5-13-7-14-6-9/h5-8,10H,1-4,12H2,(H,15,16)
InChIKeyUPYSAGKIQSLRHI-UHFFFAOYSA-N
XLogP0.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]pyrimidine-5-carboxamide
CID 103280499
N-[(3-aminocyclopentyl)methyl]-5-methylpyridine-3-carboxamide
CID 106121875
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 166261832
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 131946230

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide (CID 106121781) is N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide is NC1CCC(CNC(=O)c2cncnc2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is UPYSAGKIQSLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-10-2-1-8(3-10)4-15-11(16)9-5-13-7-14-6-9/h5-8,10H,1-4,12H2,(H,15,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide?
N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 106121781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).