5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine

C18H23ClN4 — CID 135114553

IUPAC5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cl)c(NCC2CCN(Cc3ccccc3C)C2)n1
InChIInChI=1S/C18H23ClN4/c1-13-5-3-4-6-16(13)12-23-8-7-15(11-23)9-21-18-17(19)10-20-14(2)22-18/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyXZLSHEJFTGRHAT-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.68
Rot. Bonds5

About 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine

5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 135114553) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID135114553
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cl)c(NCC2CCN(Cc3ccccc3C)C2)n1
InChIInChI=1S/C18H23ClN4/c1-13-5-3-4-6-16(13)12-23-8-7-15(11-23)9-21-18-17(19)10-20-14(2)22-18/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyXZLSHEJFTGRHAT-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 97131001
1,3,6-trimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95892087
1,3,6-trimethyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70767693
2,4-dimethyl-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95199376
5-chloro-4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80789803
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
5-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 118778620
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 125168955
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-oxopiperazine-1-carboxamide
CID 122568839
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 135114553) is 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine is Cc1ncc(Cl)c(NCC2CCN(Cc3ccccc3C)C2)n1.
What is the InChIKey of 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is XZLSHEJFTGRHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-13-5-3-4-6-16(13)12-23-8-7-15(11-23)9-21-18-17(19)10-20-14(2)22-18/h3-6,10,15H,7-9,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine?
5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 330.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 135114553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).