N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine

C9H19N3 — CID 58319950

IUPACN-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCN(C1=NCCCN1)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)12(4)8-10-6-5-7-11-8/h5-7H2,1-4H3,(H,10,11)
InChIKeySTLCZMRSAMQEEH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.07
Rot. Bonds

About N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine

N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 58319950) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID58319950
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCN(C1=NCCCN1)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)12(4)8-10-6-5-7-11-8/h5-7H2,1-4H3,(H,10,11)
InChIKeySTLCZMRSAMQEEH-UHFFFAOYSA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 58319950) is N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is CN(C1=NCCCN1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is STLCZMRSAMQEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,3)12(4)8-10-6-5-7-11-8/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine?
N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 58319950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).