N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine

C18H24N4S — CID 99929262

IUPACN-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
SMILESCSc1ncc(CN(C)C[C@H]2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4S/c1-21(13-16-10-19-18(23-2)20-11-16)12-15-8-9-22(14-15)17-6-4-3-5-7-17/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m1/s1
InChIKeyAPRYAWZNDRDPHI-OAHLLOKOSA-N
MW328.49 g/mol
LogP3.16
Rot. Bonds6

About N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine

N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine (PubChem CID 99929262) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
PubChem CID99929262
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC NameN-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
SMILESCSc1ncc(CN(C)C[C@H]2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C18H24N4S/c1-21(13-16-10-19-18(23-2)20-11-16)12-15-8-9-22(14-15)17-6-4-3-5-7-17/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m1/s1
InChIKeyAPRYAWZNDRDPHI-OAHLLOKOSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 42240373
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 45177698
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97131518
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine;dihydrochloride
CID 154892757

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine (CID 99929262) is N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine is CSc1ncc(CN(C)C[C@H]2CCN(c3ccccc3)C2)cn1.
What is the InChIKey of N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is APRYAWZNDRDPHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4S/c1-21(13-16-10-19-18(23-2)20-11-16)12-15-8-9-22(14-15)17-6-4-3-5-7-17/h3-7,10-11,15H,8-9,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine?
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 328.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 99929262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).