2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine

C11H11ClN4 — CID 158423707

IUPAC2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine
SMILESClc1nccc(NC2=NCC(C3CC3)=C2)n1
InChIInChI=1S/C11H11ClN4/c12-11-13-4-3-9(16-11)15-10-5-8(6-14-10)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15,16)
InChIKeyZBFVYVXZNQNIBB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine

2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 158423707) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine
PubChem CID158423707
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine
SMILESClc1nccc(NC2=NCC(C3CC3)=C2)n1
InChIInChI=1S/C11H11ClN4/c12-11-13-4-3-9(16-11)15-10-5-8(6-14-10)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15,16)
InChIKeyZBFVYVXZNQNIBB-UHFFFAOYSA-N
XLogP2.29
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[(1S,2R)-2-fluorocyclopropyl]-2H-pyrrol-5-yl]pyrimidin-4-amine
CID 160913484
4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-N-[(1R)-1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 161353442
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
CID 130701603
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760540
2-chloro-N-thiophen-3-ylpyrimidin-4-amine
CID 66354192
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 158423707) is 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine is Clc1nccc(NC2=NCC(C3CC3)=C2)n1.
What is the InChIKey of 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The InChIKey is ZBFVYVXZNQNIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-11-13-4-3-9(16-11)15-10-5-8(6-14-10)7-1-2-7/h3-5,7H,1-2,6H2,(H,13,14,15,16).
What are the key properties of 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine?
2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 234.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 158423707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).