1-(2-tert-butylpyrimidin-4-yl)propan-2-amine

C11H19N3 — CID 62744339

IUPAC1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
SMILESCC(N)Cc1ccnc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(12)7-9-5-6-13-10(14-9)11(2,3)4/h5-6,8H,7,12H2,1-4H3
InChIKeyWHDYEZXUFBOMLN-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine

1-(2-tert-butylpyrimidin-4-yl)propan-2-amine (PubChem CID 62744339) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
PubChem CID62744339
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
SMILESCC(N)Cc1ccnc(C(C)(C)C)n1
InChIInChI=1S/C11H19N3/c1-8(12)7-9-5-6-13-10(14-9)11(2,3)4/h5-6,8H,7,12H2,1-4H3
InChIKeyWHDYEZXUFBOMLN-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12450631
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CID 713744
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CID 71681476
CID 71681476
CID 12450625
CID 12450625
CID 25133613
CID 25133613
CID 118720433
CID 118720433
CID 25323795
CID 25323795
CID 3299593
CID 3299593
CID 15783026
CID 15783026
CID 11276767
CID 11276767
CID 10820940
CID 10820940
CID 10820941
CID 10820941

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine?
The IUPAC name of 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine (CID 62744339) is 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine is CC(N)Cc1ccnc(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine?
The InChIKey is WHDYEZXUFBOMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(12)7-9-5-6-13-10(14-9)11(2,3)4/h5-6,8H,7,12H2,1-4H3.
What are the key properties of 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine?
1-(2-tert-butylpyrimidin-4-yl)propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrimidin-4-yl)propan-2-amine is sourced from PubChem (CID 62744339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).