N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine

C12H20N4 — CID 133404241

IUPACN,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCc1cnc(N2CC(C)C(N(C)C)C2)nc1
InChIInChI=1S/C12H20N4/c1-9-5-13-12(14-6-9)16-7-10(2)11(8-16)15(3)4/h5-6,10-11H,7-8H2,1-4H3
InChIKeyREQJHDWCNUHFCK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds2

About N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine

N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 133404241) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID133404241
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCc1cnc(N2CC(C)C(N(C)C)C2)nc1
InChIInChI=1S/C12H20N4/c1-9-5-13-12(14-6-9)16-7-10(2)11(8-16)15(3)4/h5-6,10-11H,7-8H2,1-4H3
InChIKeyREQJHDWCNUHFCK-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine (CID 133404241) is N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine is Cc1cnc(N2CC(C)C(N(C)C)C2)nc1.
What is the InChIKey of N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is REQJHDWCNUHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-5-13-12(14-6-9)16-7-10(2)11(8-16)15(3)4/h5-6,10-11H,7-8H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine?
N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 133404241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).