4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C13H20N6 — CID 107465150

IUPAC4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1nn(C)cc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H20N6/c1-5-9-10(6-19(4)18-9)17-13-11(8(2)3)12(14)15-7-16-13/h6-8H,5H2,1-4H3,(H3,14,15,16,17)
InChIKeyRKISLXCAKJQPPD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.22
Rot. Bonds4

About 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107465150) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107465150
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCc1nn(C)cc1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H20N6/c1-5-9-10(6-19(4)18-9)17-13-11(8(2)3)12(14)15-7-16-13/h6-8H,5H2,1-4H3,(H3,14,15,16,17)
InChIKeyRKISLXCAKJQPPD-UHFFFAOYSA-N
XLogP2.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 102807888
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114262897
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-3-carbonitrile
CID 107462194
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
6-N-(3-ethyl-1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 107465233

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 107465150) is 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CCc1nn(C)cc1Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RKISLXCAKJQPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-5-9-10(6-19(4)18-9)17-13-11(8(2)3)12(14)15-7-16-13/h6-8H,5H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-1-methylpyrazol-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107465150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).