5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine

C12H20N4 — CID 116974701

IUPAC5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NC2CCNC2)nc1
InChIInChI=1S/C12H20N4/c1-12(2,3)9-6-14-11(15-7-9)16-10-4-5-13-8-10/h6-7,10,13H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyZGMNCGBKBZEIJJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.55
Rot. Bonds2

About 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine

5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 116974701) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID116974701
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NC2CCNC2)nc1
InChIInChI=1S/C12H20N4/c1-12(2,3)9-6-14-11(15-7-9)16-10-4-5-13-8-10/h6-7,10,13H,4-5,8H2,1-3H3,(H,14,15,16)
InChIKeyZGMNCGBKBZEIJJ-UHFFFAOYSA-N
XLogP1.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 116974701) is 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine is CC(C)(C)c1cnc(NC2CCNC2)nc1.
What is the InChIKey of 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is ZGMNCGBKBZEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2,3)9-6-14-11(15-7-9)16-10-4-5-13-8-10/h6-7,10,13H,4-5,8H2,1-3H3,(H,14,15,16).
What are the key properties of 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine?
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 116974701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).