2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile

C10H10Cl2N4 — CID 174229586

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H10Cl2N4/c11-7-5-14-10(12)16-9(7)15-8-3-1-2-6(8)4-13/h5-6,8H,1-3H2,(H,14,15,16)
InChIKeyHXIVHSHHBFKVTQ-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.89
Rot. Bonds2

About 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile

2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 174229586) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile
PubChem CID174229586
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C10H10Cl2N4/c11-7-5-14-10(12)16-9(7)15-8-3-1-2-6(8)4-13/h5-6,8H,1-3H2,(H,14,15,16)
InChIKeyHXIVHSHHBFKVTQ-UHFFFAOYSA-N
XLogP2.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 170625934
cis-(1S,2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 170625957
2-[[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexane-1-carbonitrile
CID 170625964
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 170626022
cis-(1R,2R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 170626097
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexane-1-carbonitrile
CID 170626167
(2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 170626227
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 174229541
2-[[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile
CID 174229750
2-chloro-5-fluoro-N-(2-methylcyclopentyl)pyrimidin-4-amine
CID 79075795
2-chloro-N-(1-cyclopentylethyl)-5-fluoropyrimidin-4-amine
CID 79075798
2-chloro-N-(cyclopentylmethyl)-5-fluoropyrimidin-4-amine
CID 79080516

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile (CID 174229586) is 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is HXIVHSHHBFKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c11-7-5-14-10(12)16-9(7)15-8-3-1-2-6(8)4-13/h5-6,8H,1-3H2,(H,14,15,16).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile?
2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 257.12 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 174229586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).