6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C17H23N3 — CID 80952017

IUPAC6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)14-8-6-13(4)7-9-14/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyMXOYIVDJIFOWRO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.40
Rot. Bonds5

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

6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80952017) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80952017
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(C)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)14-8-6-13(4)7-9-14/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyMXOYIVDJIFOWRO-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948337
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
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
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80952017) is 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(C)cc2)nc(C(C)C)n1.
What is the InChIKey of 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is MXOYIVDJIFOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)14-8-6-13(4)7-9-14/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).