N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine

C20H20F2N4O — CID 133411339

IUPACN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCN(C)Cc1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C20H20F2N4O/c1-26(2)13-15-4-3-14(11-18(15)22)12-24-20-23-10-9-19(25-20)27-17-7-5-16(21)6-8-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyOTCBVGRXNBQDAL-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.22
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 133411339) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
PubChem CID133411339
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
SMILESCN(C)Cc1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1F
InChIInChI=1S/C20H20F2N4O/c1-26(2)13-15-4-3-14(11-18(15)22)12-24-20-23-10-9-19(25-20)27-17-7-5-16(21)6-8-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyOTCBVGRXNBQDAL-UHFFFAOYSA-N
XLogP4.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
(2,6-dimethylmorpholin-4-yl)-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]methanone
CID 56574306
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 166230144
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
4-[4-[[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]methyl]phenyl]piperazin-2-one
CID 56575228
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine (CID 133411339) is N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine is CN(C)Cc1ccc(CNc2nccc(Oc3ccc(F)cc3)n2)cc1F.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is OTCBVGRXNBQDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-26(2)13-15-4-3-14(11-18(15)22)12-24-20-23-10-9-19(25-20)27-17-7-5-16(21)6-8-17/h3-11H,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine?
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 370.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 133411339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).