4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine

C12H18N6 — CID 112672208

IUPAC4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
SMILESCCc1nn(C)cc1CNc1nc(N)ncc1C
InChIInChI=1S/C12H18N6/c1-4-10-9(7-18(3)17-10)6-14-11-8(2)5-15-12(13)16-11/h5,7H,4,6H2,1-3H3,(H3,13,14,15,16)
InChIKeyRTQXGZKCHJCVFC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.28
Rot. Bonds4

About 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine

4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 112672208) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
PubChem CID112672208
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
SMILESCCc1nn(C)cc1CNc1nc(N)ncc1C
InChIInChI=1S/C12H18N6/c1-4-10-9(7-18(3)17-10)6-14-11-8(2)5-15-12(13)16-11/h5,7H,4,6H2,1-3H3,(H3,13,14,15,16)
InChIKeyRTQXGZKCHJCVFC-UHFFFAOYSA-N
XLogP1.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 112672189
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 112549960
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 112668218
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 115991825
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365063
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine (CID 112672208) is 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine is CCc1nn(C)cc1CNc1nc(N)ncc1C.
What is the InChIKey of 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is RTQXGZKCHJCVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-10-9(7-18(3)17-10)6-14-11-8(2)5-15-12(13)16-11/h5,7H,4,6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine?
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.28, 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)methyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112672208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).