N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine

C14H24N4O2 — CID 61170965

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2c(OC)ncnc2OC)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(9-18)15-8-12-13(19-2)16-10-17-14(12)20-3/h10-11,15H,4-9H2,1-3H3
InChIKeyGULBHMXQKHLODD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds6

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 61170965) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
PubChem CID61170965
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2c(OC)ncnc2OC)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(9-18)15-8-12-13(19-2)16-10-17-14(12)20-3/h10-11,15H,4-9H2,1-3H3
InChIKeyGULBHMXQKHLODD-UHFFFAOYSA-N
XLogP1.07
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1,1-dioxothian-4-amine
CID 43615022
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62086943
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396326
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine (CID 61170965) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2c(OC)ncnc2OC)C1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is GULBHMXQKHLODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(9-18)15-8-12-13(19-2)16-10-17-14(12)20-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 280.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61170965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).