2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile

C10H9ClN4 — CID 158254583

IUPAC2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)nc2c1C(C#N)=CC2
InChIInChI=1S/C10H9ClN4/c1-2-13-9-8-6(5-12)3-4-7(8)14-10(11)15-9/h3H,2,4H2,1H3,(H,13,14,15)
InChIKeyGHCVVZDYQYCKQE-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile

2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile (PubChem CID 158254583) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
PubChem CID158254583
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)nc2c1C(C#N)=CC2
InChIInChI=1S/C10H9ClN4/c1-2-13-9-8-6(5-12)3-4-7(8)14-10(11)15-9/h3H,2,4H2,1H3,(H,13,14,15)
InChIKeyGHCVVZDYQYCKQE-UHFFFAOYSA-N
XLogP2.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135260423
5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 149395907
2-chloro-N-(1-methylcyclopropyl)-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 158315917
2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161059148
2-chloro-N-ethyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161593420
2-chloro-N-methyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161303532
1-N-(5-fluoro-7H-cyclopenta[d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 161819118
5-(3-Aminopropyl)-6-methyl-N4-pentylpyrimidine-2,4-diamine
CID 9837870
3-[2-Amino-4-methyl-6-(pentylamino)pyrimidine-5-yl]propanenitrile
CID 22313246
2-Chloro-N-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-amine
CID 22313248
6-methyl-4-N-pentyl-5-propylpyrimidine-2,4-diamine
CID 23394122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile (CID 158254583) is 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile is CCNc1nc(Cl)nc2c1C(C#N)=CC2.
What is the InChIKey of 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The InChIKey is GHCVVZDYQYCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-2-13-9-8-6(5-12)3-4-7(8)14-10(11)15-9/h3H,2,4H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile has a molecular weight of 220.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylamino)-7H-cyclopenta[d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 158254583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).