4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine

C13H22N4O — CID 112634792

IUPAC4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-7-10(2)16-13(17-12)15-9-11-5-4-6-14-8-11/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFJCIVKPFDGCAFQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.60
Rot. Bonds5

About 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 112634792) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
PubChem CID112634792
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCC2CCCNC2)n1
InChIInChI=1S/C13H22N4O/c1-3-18-12-7-10(2)16-13(17-12)15-9-11-5-4-6-14-8-11/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyFJCIVKPFDGCAFQ-UHFFFAOYSA-N
XLogP1.60
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 115974493
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine (CID 112634792) is 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine is CCOc1cc(C)nc(NCC2CCCNC2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is FJCIVKPFDGCAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-12-7-10(2)16-13(17-12)15-9-11-5-4-6-14-8-11/h7,11,14H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112634792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).