6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C14H21N5 — CID 78955267

IUPAC6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCc2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C14H21N5/c1-10(2)14-17-11(3)7-13(18-14)15-6-5-12-8-16-19(4)9-12/h7-10H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyIFBVBNXPNOPLEI-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.30
Rot. Bonds5

About 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 78955267) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID78955267
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NCCc2cnn(C)c2)nc(C(C)C)n1
InChIInChI=1S/C14H21N5/c1-10(2)14-17-11(3)7-13(18-14)15-6-5-12-8-16-19(4)9-12/h7-10H,5-6H2,1-4H3,(H,15,17,18)
InChIKeyIFBVBNXPNOPLEI-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976486
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 103000802
6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720907
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80688716

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 78955267) is 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NCCc2cnn(C)c2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is IFBVBNXPNOPLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)14-17-11(3)7-13(18-14)15-6-5-12-8-16-19(4)9-12/h7-10H,5-6H2,1-4H3,(H,15,17,18).
What are the key properties of 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 78955267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).