1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide

C11H16N4O — CID 107588384

IUPAC1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cncnc2)CCCC1
InChIInChI=1S/C11H16N4O/c12-7-11(3-1-2-4-11)10(16)15-9-5-13-8-14-6-9/h5-6,8H,1-4,7,12H2,(H,15,16)
InChIKeyDAPXNKPGXXVOHG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.93
Rot. Bonds3

About 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide

1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide (PubChem CID 107588384) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
PubChem CID107588384
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2cncnc2)CCCC1
InChIInChI=1S/C11H16N4O/c12-7-11(3-1-2-4-11)10(16)15-9-5-13-8-14-6-9/h5-6,8H,1-4,7,12H2,(H,15,16)
InChIKeyDAPXNKPGXXVOHG-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
2-(1-aminocyclopentyl)-N-pyrimidin-5-ylacetamide
CID 107588451
1-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 81489718
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80588422

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide (CID 107588384) is 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide is NCC1(C(=O)Nc2cncnc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide?
The InChIKey is DAPXNKPGXXVOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-7-11(3-1-2-4-11)10(16)15-9-5-13-8-14-6-9/h5-6,8H,1-4,7,12H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 107588384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).