6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

C12H17N5O — CID 82872861

IUPAC6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-7-10-5-6-17(3)16-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyYHQCGXOYKBSDFU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.53
Rot. Bonds5

About 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 82872861) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID82872861
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccn(C)n2)c1C
InChIInChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-7-10-5-6-17(3)16-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyYHQCGXOYKBSDFU-UHFFFAOYSA-N
XLogP1.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (CID 82872861) is 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is CCOc1ncnc(NCc2ccn(C)n2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is YHQCGXOYKBSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-18-12-9(2)11(14-8-15-12)13-7-10-5-6-17(3)16-10/h5-6,8H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 82872861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).