N-tert-butylpyrimidin-2-amine

C8H13N3 — CID 19428499

IUPACN-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)Nc1ncccn1
InChIInChI=1S/C8H13N3/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3,(H,9,10,11)
InChIKeyRLESKUICFPMLGY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds1

About N-tert-butylpyrimidin-2-amine

N-tert-butylpyrimidin-2-amine (PubChem CID 19428499) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butylpyrimidin-2-amine
PubChem CID19428499
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)Nc1ncccn1
InChIInChI=1S/C8H13N3/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3,(H,9,10,11)
InChIKeyRLESKUICFPMLGY-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpyrimidin-2-amine?
The IUPAC name of N-tert-butylpyrimidin-2-amine (CID 19428499) is N-tert-butylpyrimidin-2-amine.
What is the SMILES notation for N-tert-butylpyrimidin-2-amine?
The canonical SMILES for N-tert-butylpyrimidin-2-amine is CC(C)(C)Nc1ncccn1.
What is the InChIKey of N-tert-butylpyrimidin-2-amine?
The InChIKey is RLESKUICFPMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(2,3)11-7-9-5-4-6-10-7/h4-6H,1-3H3,(H,9,10,11).
What are the key properties of N-tert-butylpyrimidin-2-amine?
N-tert-butylpyrimidin-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 19428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).