4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine

C13H23N5O — CID 134708598

IUPAC4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCN1CCCCC1CNc1cc(OC)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-3-18-7-5-4-6-10(18)9-15-11-8-12(19-2)17-13(14)16-11/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17)
InChIKeyBAMGUNZWSMUNCA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.35
Rot. Bonds5

About 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine

4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine (PubChem CID 134708598) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
PubChem CID134708598
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
SMILESCCN1CCCCC1CNc1cc(OC)nc(N)n1
InChIInChI=1S/C13H23N5O/c1-3-18-7-5-4-6-10(18)9-15-11-8-12(19-2)17-13(14)16-11/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17)
InChIKeyBAMGUNZWSMUNCA-UHFFFAOYSA-N
XLogP1.35
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053019
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80773177
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
2-N-[(1-ethylpiperidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 131930538
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776862
methyl 5-[(1-ethylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 126806914
4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
CID 45249833

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine (CID 134708598) is 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine is CCN1CCCCC1CNc1cc(OC)nc(N)n1.
What is the InChIKey of 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
The InChIKey is BAMGUNZWSMUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-18-7-5-4-6-10(18)9-15-11-8-12(19-2)17-13(14)16-11/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine?
4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpiperidin-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 134708598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).