2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane

C15H20ClN5 — CID 154687300

IUPAC2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
SMILESCC.Clc1nccc(Nc2cc(C3CC4(CC4)C3)[nH]n2)n1
InChIInChI=1S/C13H14ClN5.C2H6/c14-12-15-4-1-10(17-12)16-11-5-9(18-19-11)8-6-13(7-8)2-3-13;1-2/h1,4-5,8H,2-3,6-7H2,(H2,15,16,17,18,19);1-2H3
InChIKeyAFJMILCYLLYTOX-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane

2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane (PubChem CID 154687300) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
PubChem CID154687300
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
SMILESCC.Clc1nccc(Nc2cc(C3CC4(CC4)C3)[nH]n2)n1
InChIInChI=1S/C13H14ClN5.C2H6/c14-12-15-4-1-10(17-12)16-11-5-9(18-19-11)8-6-13(7-8)2-3-13;1-2/h1,4-5,8H,2-3,6-7H2,(H2,15,16,17,18,19);1-2H3
InChIKeyAFJMILCYLLYTOX-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(3,3-difluorocyclopentyl)-1H-pyrazol-3-yl]pyrimidin-4-amine;ethane
CID 154687421
4-N-[5-[(1S)-2,2-difluorocyclopropyl]-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 162157584
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylaminomethyl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-amine
CID 169160107
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
2-[4-(chloromethyl)-2-azabicyclo[2.1.1]hexan-2-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170033
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;2-methylbutane;molecular hydrogen
CID 169155625
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
CID 130556405
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane?
The IUPAC name of 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane (CID 154687300) is 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane.
What is the SMILES notation for 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane?
The canonical SMILES for 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane is CC.Clc1nccc(Nc2cc(C3CC4(CC4)C3)[nH]n2)n1.
What is the InChIKey of 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane?
The InChIKey is AFJMILCYLLYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5.C2H6/c14-12-15-4-1-10(17-12)16-11-5-9(18-19-11)8-6-13(7-8)2-3-13;1-2/h1,4-5,8H,2-3,6-7H2,(H2,15,16,17,18,19);1-2H3.
What are the key properties of 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane?
2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane has a molecular weight of 305.81 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane is sourced from PubChem (CID 154687300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).