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

C14H21N5O — CID 50981309

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C14H21N5O/c1-14(2,3)11-6-10(17-18-11)8-19(4)12-7-13(20-5)16-9-15-12/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyIQKZYEHQZLWYON-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.14
Rot. Bonds4

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

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 50981309) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID50981309
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)ncn1
InChIInChI=1S/C14H21N5O/c1-14(2,3)11-6-10(17-18-11)8-19(4)12-7-13(20-5)16-9-15-12/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyIQKZYEHQZLWYON-UHFFFAOYSA-N
XLogP2.14
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine (CID 50981309) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine is COc1cc(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-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is IQKZYEHQZLWYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)11-6-10(17-18-11)8-19(4)12-7-13(20-5)16-9-15-12/h6-7,9H,8H2,1-5H3,(H,17,18).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.14, 4 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-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 50981309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).