5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

C17H31N5 — CID 70765593

IUPAC5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2C[C@@H](CCC)[C@H](N(C)C)C2)cn1
InChIInChI=1S/C17H31N5/c1-5-7-15-12-22(13-16(15)21(3)4)11-14-9-19-17(20-10-14)18-8-6-2/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,18,19,20)/t15-,16-/m1/s1
InChIKeyZPOAHXNNTFKNHG-HZPDHXFCSA-N
MW305.47 g/mol
LogP2.46
Rot. Bonds8

About 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 70765593) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID70765593
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2C[C@@H](CCC)[C@H](N(C)C)C2)cn1
InChIInChI=1S/C17H31N5/c1-5-7-15-12-22(13-16(15)21(3)4)11-14-9-19-17(20-10-14)18-8-6-2/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,18,19,20)/t15-,16-/m1/s1
InChIKeyZPOAHXNNTFKNHG-HZPDHXFCSA-N
XLogP2.46
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 70763278
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 56870741
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
[4-methyl-5-[[1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50953438
4-[(3R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]benzoic acid
CID 97187836
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 56715150
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839569
cyclobutyl-[(5S)-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 95199024

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 70765593) is 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2C[C@@H](CCC)[C@H](N(C)C)C2)cn1.
What is the InChIKey of 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is ZPOAHXNNTFKNHG-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H31N5/c1-5-7-15-12-22(13-16(15)21(3)4)11-14-9-19-17(20-10-14)18-8-6-2/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,18,19,20)/t15-,16-/m1/s1.
What are the key properties of 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 305.47 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 70765593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).