N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H23N5O — CID 72873636

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C15H23N5O/c1-15(2,3)13-6-11(18-19-13)8-20(4)14-7-12(9-21-5)16-10-17-14/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyYRJGSSLBUZNYNL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 72873636) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID72873636
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C15H23N5O/c1-15(2,3)13-6-11(18-19-13)8-20(4)14-7-12(9-21-5)16-10-17-14/h6-7,10H,8-9H2,1-5H3,(H,18,19)
InChIKeyYRJGSSLBUZNYNL-UHFFFAOYSA-N
XLogP2.28
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 72873636) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is COCc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is YRJGSSLBUZNYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(2,3)13-6-11(18-19-13)8-20(4)14-7-12(9-21-5)16-10-17-14/h6-7,10H,8-9H2,1-5H3,(H,18,19).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 72873636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).