2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine

C16H23N5O — CID 133299001

IUPAC2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(CNc2ccnc(C3CC3)n2)c1C
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)21(20-11)8-9-22-3)10-18-15-6-7-17-16(19-15)13-4-5-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,18,19)
InChIKeyWIKHRUAEOPHEES-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.43
Rot. Bonds7

About 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133299001) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID133299001
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(CNc2ccnc(C3CC3)n2)c1C
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)21(20-11)8-9-22-3)10-18-15-6-7-17-16(19-15)13-4-5-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,18,19)
InChIKeyWIKHRUAEOPHEES-UHFFFAOYSA-N
XLogP2.43
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine (CID 133299001) is 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine is COCCn1nc(C)c(CNc2ccnc(C3CC3)n2)c1C.
What is the InChIKey of 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is WIKHRUAEOPHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14(12(2)21(20-11)8-9-22-3)10-18-15-6-7-17-16(19-15)13-4-5-13/h6-7,13H,4-5,8-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).