N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine

C7H14N3+ — CID 123370307

IUPACN,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine
SMILESCNC1=CC=[N+](C)CN1C
InChIInChI=1S/C7H13N3/c1-8-7-4-5-9(2)6-10(7)3/h4-5H,6H2,1-3H3/p+1
InChIKeyICPHLSYKKNFWMP-UHFFFAOYSA-O
MW140.21 g/mol
LogP-0.34
Rot. Bonds1

About N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine

N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine (PubChem CID 123370307) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine
PubChem CID123370307
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC NameN,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine
SMILESCNC1=CC=[N+](C)CN1C
InChIInChI=1S/C7H13N3/c1-8-7-4-5-9(2)6-10(7)3/h4-5H,6H2,1-3H3/p+1
InChIKeyICPHLSYKKNFWMP-UHFFFAOYSA-O
XLogP-0.34
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine?
The IUPAC name of N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine (CID 123370307) is N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine.
What is the SMILES notation for N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine?
The canonical SMILES for N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine is CNC1=CC=[N+](C)CN1C.
What is the InChIKey of N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine?
The InChIKey is ICPHLSYKKNFWMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3/c1-8-7-4-5-9(2)6-10(7)3/h4-5H,6H2,1-3H3/p+1.
What are the key properties of N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine?
N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine has a molecular weight of 140.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2H-pyrimidin-1-ium-4-amine is sourced from PubChem (CID 123370307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).