N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine

C12H14ClN5 — CID 72843204

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
SMILESClc1cnn(CCNc2cc(C3CC3)ncn2)c1
InChIInChI=1S/C12H14ClN5/c13-10-6-17-18(7-10)4-3-14-12-5-11(9-1-2-9)15-8-16-12/h5-9H,1-4H2,(H,14,15,16)
InChIKeyQNEMHNRVPXPOLX-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine

N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine (PubChem CID 72843204) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
PubChem CID72843204
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
SMILESClc1cnn(CCNc2cc(C3CC3)ncn2)c1
InChIInChI=1S/C12H14ClN5/c13-10-6-17-18(7-10)4-3-14-12-5-11(9-1-2-9)15-8-16-12/h5-9H,1-4H2,(H,14,15,16)
InChIKeyQNEMHNRVPXPOLX-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
CID 72919979
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780188
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
CID 62566978
6-cyclopropyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72882041
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80948335
N-[2-(4-chloropyrazol-1-yl)ethyl]thiophen-3-amine
CID 131075375
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
CID 174793793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine (CID 72843204) is N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine is Clc1cnn(CCNc2cc(C3CC3)ncn2)c1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine?
The InChIKey is QNEMHNRVPXPOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-6-17-18(7-10)4-3-14-12-5-11(9-1-2-9)15-8-16-12/h5-9H,1-4H2,(H,14,15,16).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine?
N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 72843204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).