N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine

C15H26N4O — CID 115975017

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-10-20-14-6-7-16-15(18-14)17-11-13(2)12-19-8-4-5-9-19/h6-7,13H,3-5,8-12H2,1-2H3,(H,16,17,18)
InChIKeyXTGLILBJRACABR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.41
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine (PubChem CID 115975017) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
PubChem CID115975017
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-10-20-14-6-7-16-15(18-14)17-11-13(2)12-19-8-4-5-9-19/h6-7,13H,3-5,8-12H2,1-2H3,(H,16,17,18)
InChIKeyXTGLILBJRACABR-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-propoxypyrimidin-2-amine
CID 115975019
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107553892
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(2-chloro-4-methylpentyl)-4-propoxypyrimidin-2-amine
CID 107156240
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 115974723
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine (CID 115975017) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine?
The InChIKey is XTGLILBJRACABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-10-20-14-6-7-16-15(18-14)17-11-13(2)12-19-8-4-5-9-19/h6-7,13H,3-5,8-12H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 115975017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).