(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

C13H24N4 — CID 141256060

IUPAC(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCC(C)(C)CN1C=CC(N2CC[C@@H](N)C2)=NC1
InChIInChI=1S/C13H24N4/c1-13(2,3)9-16-6-5-12(15-10-16)17-7-4-11(14)8-17/h5-6,11H,4,7-10,14H2,1-3H3/t11-/m1/s1
InChIKeyLQSNLDROQDLOMD-LLVKDONJSA-N
MW236.36 g/mol
LogP1.25
Rot. Bonds1

About (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 141256060) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID141256060
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCC(C)(C)CN1C=CC(N2CC[C@@H](N)C2)=NC1
InChIInChI=1S/C13H24N4/c1-13(2,3)9-16-6-5-12(15-10-16)17-7-4-11(14)8-17/h5-6,11H,4,7-10,14H2,1-3H3/t11-/m1/s1
InChIKeyLQSNLDROQDLOMD-LLVKDONJSA-N
XLogP1.25
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-(4,4,4-trifluorobutyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256070
(E)-3-amino-N'-[(2S)-butan-2-yl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]prop-2-enimidamide
CID 89350974
1-(1,5-Dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
CID 123879082
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]azetidin-3-amine
CID 141256071
(3R)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256089
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256103
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(cyclopropylmethylamino)ethenyl]carbonimidoyl]pyrrolidin-3-amine
CID 173483700
(3S)-1-[C-[(Z)-2-aminoethenyl]-N-[1-(2,2-dimethylpropylamino)ethenyl]carbonimidoyl]-N-methylpyrrolidin-3-amine
CID 173483704
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381
potassium;1-[C,N-bis(ethenyl)carbonimidoyl]pyrrolidin-3-amine;carbanide;ethane
CID 177247485
ethane;N-ethenyl-N'-(1-propan-2-ylpyrrolidin-3-yl)prop-2-enimidamide
CID 177247489

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (CID 141256060) is (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is CC(C)(C)CN1C=CC(N2CC[C@@H](N)C2)=NC1.
What is the InChIKey of (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is LQSNLDROQDLOMD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2,3)9-16-6-5-12(15-10-16)17-7-4-11(14)8-17/h5-6,11H,4,7-10,14H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 141256060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).