N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C15H26N4O — CID 103539456

IUPACN-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CCC(OC)C1
InChIInChI=1S/C15H26N4O/c1-5-16-8-13-14(9-17-15(18-13)11(2)3)19-7-6-12(10-19)20-4/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyISXNOSLDRYBGMO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.93
Rot. Bonds6

About N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 103539456) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID103539456
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1N1CCC(OC)C1
InChIInChI=1S/C15H26N4O/c1-5-16-8-13-14(9-17-15(18-13)11(2)3)19-7-6-12(10-19)20-4/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyISXNOSLDRYBGMO-UHFFFAOYSA-N
XLogP1.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3,4-dimethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 79184229
N-[[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62280514
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62282645
2-[1-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]piperidin-4-yl]oxyethanol
CID 82685023
4-(chloromethyl)-5-(4-ethoxypiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 62088336
N-[[6-(3-methoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103539323
[5-(4-tert-butylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086536
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[5-(2,5-dimethylmorpholin-4-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62279580
[5-[4-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 63970979
N-[(2-propan-2-yl-5-pyrazol-1-ylpyrimidin-4-yl)methyl]ethanamine
CID 62294317
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 103539456) is N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1N1CCC(OC)C1.
What is the InChIKey of N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is ISXNOSLDRYBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-8-13-14(9-17-15(18-13)11(2)3)19-7-6-12(10-19)20-4/h9,11-12,16H,5-8,10H2,1-4H3.
What are the key properties of N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 103539456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).