5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine

C13H19N5 — CID 72872121

IUPAC5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(NCc2cnn(C(C)C)c2)c1C
InChIInChI=1S/C13H19N5/c1-9(2)18-7-12(6-17-18)5-14-13-10(3)11(4)15-8-16-13/h6-9H,5H2,1-4H3,(H,14,15,16)
InChIKeySFIOQBKTENKNFN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds4

About 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine

5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 72872121) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID72872121
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1ncnc(NCc2cnn(C(C)C)c2)c1C
InChIInChI=1S/C13H19N5/c1-9(2)18-7-12(6-17-18)5-14-13-10(3)11(4)15-8-16-13/h6-9H,5H2,1-4H3,(H,14,15,16)
InChIKeySFIOQBKTENKNFN-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 104599634
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 72884289
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167041
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 72872121) is 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1ncnc(NCc2cnn(C(C)C)c2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is SFIOQBKTENKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)18-7-12(6-17-18)5-14-13-10(3)11(4)15-8-16-13/h6-9H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine?
5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72872121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).