2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one

C14H19N5O — CID 142964095

IUPAC2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC/N=C\C)nc(CC2C=CCC2)[nH]c1=O
InChIInChI=1S/C14H19N5O/c1-2-16-9-17-13-11(8-15)14(20)19-12(18-13)7-10-5-3-4-6-10/h2-3,5,8,10,15H,4,6-7,9H2,1H3,(H2,17,18,19,20)/b15-8+,16-2-
InChIKeyKSFCJKJTUJEAIN-QCLRIIGJSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds6

About 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one

2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one (PubChem CID 142964095) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one
PubChem CID142964095
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC/N=C\C)nc(CC2C=CCC2)[nH]c1=O
InChIInChI=1S/C14H19N5O/c1-2-16-9-17-13-11(8-15)14(20)19-12(18-13)7-10-5-3-4-6-10/h2-3,5,8,10,15H,4,6-7,9H2,1H3,(H2,17,18,19,20)/b15-8+,16-2-
InChIKeyKSFCJKJTUJEAIN-QCLRIIGJSA-N
XLogP1.74
TPSA93.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopent-2-en-1-ylmethyl)-5-methanimidoyl-4-(pentan-3-ylamino)-1H-pyrimidin-6-one
CID 136444100
but-1-ene;2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one
CID 142964094
2-(cyclopentylmethyl)-5-methanimidoyl-4-(prop-2-enylamino)-1H-pyrimidin-6-one;ethane;N-methylmethanimine
CID 142964108
4-[2-(cyclopenten-1-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136849713
2-(cyclopentylmethyl)-5-methanimidoyl-4-(prop-2-enylamino)-1H-pyrimidin-6-one
CID 142964109

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one (CID 142964095) is 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one is [H]/N=C/c1c(NC/N=C\C)nc(CC2C=CCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one?
The InChIKey is KSFCJKJTUJEAIN-QCLRIIGJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-16-9-17-13-11(8-15)14(20)19-12(18-13)7-10-5-3-4-6-10/h2-3,5,8,10,15H,4,6-7,9H2,1H3,(H2,17,18,19,20)/b15-8+,16-2-.
What are the key properties of 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one?
2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopent-2-en-1-ylmethyl)-4-[[(Z)-ethylideneamino]methylamino]-5-methanimidoyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142964095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).