N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine

C17H20F2N4 — CID 171996805

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C17H20F2N4/c1-12-7-17(21-11-20-12)22(2)14-5-6-23(10-14)9-13-3-4-15(18)16(19)8-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyRSBPNQVFDFMBHW-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.77
Rot. Bonds4

About N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 171996805) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID171996805
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C17H20F2N4/c1-12-7-17(21-11-20-12)22(2)14-5-6-23(10-14)9-13-3-4-15(18)16(19)8-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyRSBPNQVFDFMBHW-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913
N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
CID 171999445
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
4-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998623
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521
4-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998496
N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 172892296
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine (CID 171996805) is N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3ccc(F)c(F)c3)C2)ncn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RSBPNQVFDFMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c1-12-7-17(21-11-20-12)22(2)14-5-6-23(10-14)9-13-3-4-15(18)16(19)8-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 318.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 171996805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).