5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine

C19H26BrN5O2 — CID 175801134

IUPAC5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine
SMILES[2H]c1nc(Nc2cc(OC)c(N3CCC(N(C)C)CC3)cc2OC)ncc1Br
InChIInChI=1S/C19H26BrN5O2/c1-24(2)14-5-7-25(8-6-14)16-10-17(26-3)15(9-18(16)27-4)23-19-21-11-13(20)12-22-19/h9-12,14H,5-8H2,1-4H3,(H,21,22,23)/i11D
InChIKeySJHKFCCBBGRRHY-WORMITQPSA-N
MW437.36 g/mol
LogP3.53
Rot. Bonds6

About 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine

5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine (PubChem CID 175801134) has the molecular formula C19H26BrN5O2 and a molecular weight of 437.36 g/mol. Its IUPAC name is 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine
PubChem CID175801134
Molecular FormulaC19H26BrN5O2
Molecular Weight437.36 g/mol
Exact Mass436.13
IUPAC Name5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine
SMILES[2H]c1nc(Nc2cc(OC)c(N3CCC(N(C)C)CC3)cc2OC)ncc1Br
InChIInChI=1S/C19H26BrN5O2/c1-24(2)14-5-7-25(8-6-14)16-10-17(26-3)15(9-18(16)27-4)23-19-21-11-13(20)12-22-19/h9-12,14H,5-8H2,1-4H3,(H,21,22,23)/i11D
InChIKeySJHKFCCBBGRRHY-WORMITQPSA-N
XLogP3.53
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[5-bromo-2-[4-[4-(dimethylamino)piperidin-1-yl]-5-methoxy-2-methylanilino]pyrimidin-4-yl]amino]-4-fluorophenyl]propan-2-ol
CID 165391430
5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-methylphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 90656912
5-bromo-N-[4-(4-cyclopentylpiperazin-1-yl)-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]pyrimidin-2-amine
CID 166171891
tert-butyl N-[3-[[5-chloro-2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-4-methoxyphenyl]carbamate
CID 163289080
2-[4-(dimethylamino)piperidin-1-yl]-4,5-dimethoxybenzaldehyde
CID 58423333
N-[4-[4-(dimethylamino)piperidin-1-yl]-3-methoxyphenyl]-4-imidazol-1-yl-5-iodopyrimidin-2-amine
CID 134383486
5-bromo-2-[4-[4-[3-(dimethylamino)piperidin-1-yl]piperidin-1-yl]-2,5-dimethoxyanilino]-4-[[5-[methyl(sulfino)amino]-2,3-dihydro-1-benzofuran-6-yl]amino]pyrimidine
CID 175493602
5-bromo-2-[4-[4-[3-(dimethylamino)piperidin-1-yl]piperidin-1-yl]-2,5-dimethoxyanilino]-4-[[5-[methyl(sulfinato)amino]-2,3-dihydro-1-benzofuran-6-yl]amino]pyrimidine
CID 175493601
1-[2-[[5-chloro-2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(propan-2-ylamino)anilino]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 155745153
1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139409848
5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-methylphenyl]-4-N-[4-methoxy-2-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine
CID 167659446
N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylpyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
CID 126667184

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine (CID 175801134) is 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine is [2H]c1nc(Nc2cc(OC)c(N3CCC(N(C)C)CC3)cc2OC)ncc1Br.
What is the InChIKey of 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine?
The InChIKey is SJHKFCCBBGRRHY-WORMITQPSA-N. The full InChI is InChI=1S/C19H26BrN5O2/c1-24(2)14-5-7-25(8-6-14)16-10-17(26-3)15(9-18(16)27-4)23-19-21-11-13(20)12-22-19/h9-12,14H,5-8H2,1-4H3,(H,21,22,23)/i11D.
What are the key properties of 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine?
5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine has a molecular weight of 437.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-deuterio-N-[4-[4-(dimethylamino)piperidin-1-yl]-2,5-dimethoxyphenyl]pyrimidin-2-amine is sourced from PubChem (CID 175801134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).