6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

C16H28N4O — CID 106620544

IUPAC6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(CC(C)C)CC2CCCN2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-5-21-16-9-15(18-13(4)19-16)20(10-12(2)3)11-14-7-6-8-17-14/h9,12,14,17H,5-8,10-11H2,1-4H3
InChIKeyIEIHFFULDBNGMC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.40
Rot. Bonds7

About 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine

6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 106620544) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
PubChem CID106620544
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(CC(C)C)CC2CCCN2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-5-21-16-9-15(18-13(4)19-16)20(10-12(2)3)11-14-7-6-8-17-14/h9,12,14,17H,5-8,10-11H2,1-4H3
InChIKeyIEIHFFULDBNGMC-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620698
N-(2-methylpropyl)-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620729
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136781024
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
N-ethyl-6-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619278

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine (CID 106620544) is 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is CCOc1cc(N(CC(C)C)CC2CCCN2)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IEIHFFULDBNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-21-16-9-15(18-13(4)19-16)20(10-12(2)3)11-14-7-6-8-17-14/h9,12,14,17H,5-8,10-11H2,1-4H3.
What are the key properties of 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine?
6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106620544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).