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

C16H28N4 — CID 83185212

IUPACN-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCCC2(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H28N4/c1-12-13(11-18-15(2,3)4)10-17-14(19-12)20-9-7-8-16(20,5)6/h10,18H,7-9,11H2,1-6H3
InChIKeyUVFMZNKMYSNWMQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.05
Rot. Bonds3

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

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 83185212) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID83185212
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCCC2(C)C)ncc1CNC(C)(C)C
InChIInChI=1S/C16H28N4/c1-12-13(11-18-15(2,3)4)10-17-14(19-12)20-9-7-8-16(20,5)6/h10,18H,7-9,11H2,1-6H3
InChIKeyUVFMZNKMYSNWMQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
4,5-Dimethylpyrimidin-2-amine
CID 231290
5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine dihydrochloride
CID 53438321
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
(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(cyclopropylmethyl)ethanamine
CID 26390837
2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine
CID 50975206
4-isopropyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine
CID 72868392
N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
1-(4,5-dimethylpyrimidin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 75436314
1-(2,4-dimethylpyrimidin-5-yl)-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 75497176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 83185212) is N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(N2CCCC2(C)C)ncc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UVFMZNKMYSNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-13(11-18-15(2,3)4)10-17-14(19-12)20-9-7-8-16(20,5)6/h10,18H,7-9,11H2,1-6H3.
What are the key properties of N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 83185212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).