N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine

C15H27N5 — CID 83185384

IUPACN,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCCNCc1cnc(N2CCC(N(C)C)C2)nc1C
InChIInChI=1S/C15H27N5/c1-5-7-16-9-13-10-17-15(18-12(13)2)20-8-6-14(11-20)19(3)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyIXMMKWQOIPKMKB-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.42
Rot. Bonds6

About N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 83185384) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID83185384
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCCCNCc1cnc(N2CCC(N(C)C)C2)nc1C
InChIInChI=1S/C15H27N5/c1-5-7-16-9-13-10-17-15(18-12(13)2)20-8-6-14(11-20)19(3)4/h10,14,16H,5-9,11H2,1-4H3
InChIKeyIXMMKWQOIPKMKB-UHFFFAOYSA-N
XLogP1.42
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 83185384) is N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine is CCCNCc1cnc(N2CCC(N(C)C)C2)nc1C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is IXMMKWQOIPKMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-7-16-9-13-10-17-15(18-12(13)2)20-8-6-14(11-20)19(3)4/h10,14,16H,5-9,11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 277.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 83185384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).