6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine

C16H18N6 — CID 100640999

IUPAC6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
SMILESCc1cc(N)n(-c2cc(N(C)Cc3ccccc3)ncn2)n1
InChIInChI=1S/C16H18N6/c1-12-8-14(17)22(20-12)16-9-15(18-11-19-16)21(2)10-13-6-4-3-5-7-13/h3-9,11H,10,17H2,1-2H3
InChIKeyXQHNLKFFFPSDKT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.19
Rot. Bonds4

About 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine

6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine (PubChem CID 100640999) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
PubChem CID100640999
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine
SMILESCc1cc(N)n(-c2cc(N(C)Cc3ccccc3)ncn2)n1
InChIInChI=1S/C16H18N6/c1-12-8-14(17)22(20-12)16-9-15(18-11-19-16)21(2)10-13-6-4-3-5-7-13/h3-9,11H,10,17H2,1-2H3
InChIKeyXQHNLKFFFPSDKT-UHFFFAOYSA-N
XLogP2.19
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112859475
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
2-[6-[(2S)-2-benzylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methylpyrazol-3-amine
CID 97226138
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296
6-N-benzyl-6-N-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112859466
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
N-[(4-aminophenyl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66318304

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine (CID 100640999) is 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine is Cc1cc(N)n(-c2cc(N(C)Cc3ccccc3)ncn2)n1.
What is the InChIKey of 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine?
The InChIKey is XQHNLKFFFPSDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12-8-14(17)22(20-12)16-9-15(18-11-19-16)21(2)10-13-6-4-3-5-7-13/h3-9,11H,10,17H2,1-2H3.
What are the key properties of 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine?
6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-methylpyrazol-1-yl)-N-benzyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 100640999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).