6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C14H21N5 — CID 80952418

IUPAC6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccnn2C)nc(C(C)C)n1
InChIInChI=1S/C14H21N5/c1-5-7-15-13-9-11(12-6-8-16-19(12)4)17-14(18-13)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,15,17,18)
InChIKeyBQEFBZKHCBVJMF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.82
Rot. Bonds5

About 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80952418) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80952418
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccnn2C)nc(C(C)C)n1
InChIInChI=1S/C14H21N5/c1-5-7-15-13-9-11(12-6-8-16-19(12)4)17-14(18-13)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,15,17,18)
InChIKeyBQEFBZKHCBVJMF-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
2-(2-methylpyrazol-3-yl)-N-propylpyridin-4-amine
CID 102824790
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-propan-2-yl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341934
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80952418) is 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccnn2C)nc(C(C)C)n1.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is BQEFBZKHCBVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-7-15-13-9-11(12-6-8-16-19(12)4)17-14(18-13)10(2)3/h6,8-10H,5,7H2,1-4H3,(H,15,17,18).
What are the key properties of 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).