5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine

C19H27N5 — CID 99926346

IUPAC5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1
InChIInChI=1S/C19H27N5/c1-3-9-20-19-21-12-16(13-22-19)14-24-11-10-23(2)18(15-24)17-7-5-4-6-8-17/h4-8,12-13,18H,3,9-11,14-15H2,1-2H3,(H,20,21,22)/t18-/m0/s1
InChIKeyVCDBPLYCBCSKPG-SFHVURJKSA-N
MW325.46 g/mol
LogP2.79
Rot. Bonds6

About 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 99926346) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID99926346
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1
InChIInChI=1S/C19H27N5/c1-3-9-20-19-21-12-16(13-22-19)14-24-11-10-23(2)18(15-24)17-7-5-4-6-8-17/h4-8,12-13,18H,3,9-11,14-15H2,1-2H3,(H,20,21,22)/t18-/m0/s1
InChIKeyVCDBPLYCBCSKPG-SFHVURJKSA-N
XLogP2.79
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methyl]-N-propylpyrimidin-2-amine
CID 56866142
4-[(3R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]benzoic acid
CID 97187836
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
(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
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 70765593
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
CID 56885365
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
5-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-N-benzylpyrimidin-2-amine
CID 56701298

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 99926346) is 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1.
What is the InChIKey of 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is VCDBPLYCBCSKPG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-9-20-19-21-12-16(13-22-19)14-24-11-10-23(2)18(15-24)17-7-5-4-6-8-17/h4-8,12-13,18H,3,9-11,14-15H2,1-2H3,(H,20,21,22)/t18-/m0/s1.
What are the key properties of 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 99926346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).