4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

C16H28N4O — CID 106641392

IUPAC4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(N(CC2CCCCN2)C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-21-15-10-13(4)18-16(19-15)20(12(2)3)11-14-8-6-7-9-17-14/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyVPGCFWNEIWILEF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.54
Rot. Bonds6

About 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 106641392) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID106641392
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(N(CC2CCCCN2)C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-21-15-10-13(4)18-16(19-15)20(12(2)3)11-14-8-6-7-9-17-14/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyVPGCFWNEIWILEF-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065
N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
6-ethoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 106641292
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
N-cyclopropyl-4-methoxy-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 106640968
N-(piperidin-2-ylmethyl)-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 106641351
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620544
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
4-ethoxy-N,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 112635056

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (CID 106641392) is 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is CCOc1cc(C)nc(N(CC2CCCCN2)C(C)C)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is VPGCFWNEIWILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-21-15-10-13(4)18-16(19-15)20(12(2)3)11-14-8-6-7-9-17-14/h10,12,14,17H,5-9,11H2,1-4H3.
What are the key properties of 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 106641392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).