N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

C15H26N4 — CID 83189092

IUPACN-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCC(C)(C)C2)ncc1CNC(C)C
InChIInChI=1S/C15H26N4/c1-11(2)16-8-13-9-17-14(18-12(13)3)19-7-6-15(4,5)10-19/h9,11,16H,6-8,10H2,1-5H3
InChIKeyJGGBXLTXULPRHF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds4

About N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83189092) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83189092
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCC(C)(C)C2)ncc1CNC(C)C
InChIInChI=1S/C15H26N4/c1-11(2)16-8-13-9-17-14(18-12(13)3)19-7-6-15(4,5)10-19/h9,11,16H,6-8,10H2,1-5H3
InChIKeyJGGBXLTXULPRHF-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994950
4,5-Dimethylpyrimidine
CID 572516
4,5-dimethyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 127050018
5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride
CID 44182365
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
4,5-Dimethylpyrimidin-2-amine
CID 231290
5-(1-Aminoethyl)-4-methylpyrimidin-2-amine
CID 43810924
5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine dihydrochloride
CID 53438321
2-methyl-5H,6H,7H-pyrrolo(3,4-d)pyrimidine dihydrobromide
CID 154853248
2-Dimethylamino-5,6-dimethylpyrimidin
CID 21132467
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 54758847
N,N-dimethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 67543338

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine (CID 83189092) is N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(N2CCC(C)(C)C2)ncc1CNC(C)C.
What is the InChIKey of N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is JGGBXLTXULPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)16-8-13-9-17-14(18-12(13)3)19-7-6-15(4,5)10-19/h9,11,16H,6-8,10H2,1-5H3.
What are the key properties of N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83189092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).