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

C17H31N5 — CID 164637376

IUPAC5-[[(3R,4S)-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-/m0/s1
InChIKeyZPOAHXNNTFKNHG-HOTGVXAUSA-N
MW305.47 g/mol
LogP2.46
Rot. Bonds8

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

5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 164637376) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID164637376
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name5-[[(3R,4S)-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-/m0/s1
InChIKeyZPOAHXNNTFKNHG-HOTGVXAUSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 164637376) is 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3R,4S)-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-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is ZPOAHXNNTFKNHG-HOTGVXAUSA-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-/m0/s1.
What are the key properties of 5-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(3R,4S)-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-[[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 164637376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).