N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine

C15H26N4 — CID 164635220

IUPACN-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(N[C@H]2CCN(C(C)(C)C)C2)nc1
InChIInChI=1S/C15H26N4/c1-11(2)12-8-16-14(17-9-12)18-13-6-7-19(10-13)15(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1
InChIKeyPTGPIFHNKOPJMZ-ZDUSSCGKSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds3

About N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine

N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine (PubChem CID 164635220) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine
PubChem CID164635220
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cnc(N[C@H]2CCN(C(C)(C)C)C2)nc1
InChIInChI=1S/C15H26N4/c1-11(2)12-8-16-14(17-9-12)18-13-6-7-19(10-13)15(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1
InChIKeyPTGPIFHNKOPJMZ-ZDUSSCGKSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine (CID 164635220) is N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine is CC(C)c1cnc(N[C@H]2CCN(C(C)(C)C)C2)nc1.
What is the InChIKey of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine?
The InChIKey is PTGPIFHNKOPJMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)12-8-16-14(17-9-12)18-13-6-7-19(10-13)15(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine?
N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-tert-butylpyrrolidin-3-yl]-5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 164635220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).