(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

C14H26N4 — CID 174833381

IUPAC(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=NCN(CC(C)(C)C)C=C2)C1
InChIInChI=1S/C14H26N4/c1-14(2,3)10-17-7-6-13(16-11-17)18-8-5-12(9-18)15-4/h6-7,12,15H,5,8-11H2,1-4H3/t12-/m0/s1
InChIKeyOJJVUUJQKPTETN-LBPRGKRZSA-N
MW250.39 g/mol
LogP1.51
Rot. Bonds2

About (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (PubChem CID 174833381) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
PubChem CID174833381
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=NCN(CC(C)(C)C)C=C2)C1
InChIInChI=1S/C14H26N4/c1-14(2,3)10-17-7-6-13(16-11-17)18-8-5-12(9-18)15-4/h6-7,12,15H,5,8-11H2,1-4H3/t12-/m0/s1
InChIKeyOJJVUUJQKPTETN-LBPRGKRZSA-N
XLogP1.51
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (CID 174833381) is (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is CN[C@H]1CCN(C2=NCN(CC(C)(C)C)C=C2)C1.
What is the InChIKey of (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is OJJVUUJQKPTETN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)10-17-7-6-13(16-11-17)18-8-5-12(9-18)15-4/h6-7,12,15H,5,8-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 250.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 174833381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).