N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C18H21N5 — CID 133449263

IUPACN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2cn(C)nc2-c2ccccc2)n1
InChIInChI=1S/C18H21N5/c1-13(2)18-19-10-9-16(21-18)20-11-15-12-23(3)22-17(15)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyFDLPDUBUPSJPOL-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.61
Rot. Bonds5

About N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 133449263) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID133449263
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2cn(C)nc2-c2ccccc2)n1
InChIInChI=1S/C18H21N5/c1-13(2)18-19-10-9-16(21-18)20-11-15-12-23(3)22-17(15)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyFDLPDUBUPSJPOL-UHFFFAOYSA-N
XLogP3.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 133449167
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835543
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 133449161
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133449223
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449169

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 133449263) is N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(NCc2cn(C)nc2-c2ccccc2)n1.
What is the InChIKey of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FDLPDUBUPSJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13(2)18-19-10-9-16(21-18)20-11-15-12-23(3)22-17(15)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133449263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).