1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine

C15H21N5O — CID 77080328

IUPAC1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine
SMILESCOCc1ncc(CN(C)Cc2cc(C3CC3)n[nH]2)cn1
InChIInChI=1S/C15H21N5O/c1-20(8-11-6-16-15(10-21-2)17-7-11)9-13-5-14(19-18-13)12-3-4-12/h5-7,12H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyHHJDXHPKEYRTEM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.86
Rot. Bonds7

About 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine

1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine (PubChem CID 77080328) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine
PubChem CID77080328
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine
SMILESCOCc1ncc(CN(C)Cc2cc(C3CC3)n[nH]2)cn1
InChIInChI=1S/C15H21N5O/c1-20(8-11-6-16-15(10-21-2)17-7-11)9-13-5-14(19-18-13)12-3-4-12/h5-7,12H,3-4,8-10H2,1-2H3,(H,18,19)
InChIKeyHHJDXHPKEYRTEM-UHFFFAOYSA-N
XLogP1.86
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine (CID 77080328) is 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine is COCc1ncc(CN(C)Cc2cc(C3CC3)n[nH]2)cn1.
What is the InChIKey of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine?
The InChIKey is HHJDXHPKEYRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-20(8-11-6-16-15(10-21-2)17-7-11)9-13-5-14(19-18-13)12-3-4-12/h5-7,12H,3-4,8-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine?
1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine has a molecular weight of 287.37 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 77080328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).