azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

C20H24ClFN8 — CID 145468383

IUPACazane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2ccc(Nc3nccc(Nc4ccc(F)c(Cl)c4)n3)cn2)CC1.N
InChIInChI=1S/C20H21ClFN7.H3N/c1-28-8-10-29(11-9-28)19-5-3-15(13-24-19)26-20-23-7-6-18(27-20)25-14-2-4-17(22)16(21)12-14;/h2-7,12-13H,8-11H2,1H3,(H2,23,25,26,27);1H3
InChIKeyQCDQUSOAUFYOBP-UHFFFAOYSA-N
MW430.92 g/mol
LogP4.07
Rot. Bonds5

About azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine

azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 145468383) has the molecular formula C20H24ClFN8 and a molecular weight of 430.92 g/mol. Its IUPAC name is azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameazane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
PubChem CID145468383
Molecular FormulaC20H24ClFN8
Molecular Weight430.92 g/mol
Exact Mass430.18
IUPAC Nameazane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2ccc(Nc3nccc(Nc4ccc(F)c(Cl)c4)n3)cn2)CC1.N
InChIInChI=1S/C20H21ClFN7.H3N/c1-28-8-10-29(11-9-28)19-5-3-15(13-24-19)26-20-23-7-6-18(27-20)25-14-2-4-17(22)16(21)12-14;/h2-7,12-13H,8-11H2,1H3,(H2,23,25,26,27);1H3
InChIKeyQCDQUSOAUFYOBP-UHFFFAOYSA-N
XLogP4.07
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3,4-dimethylphenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 162206883
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904136
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,6-difluorophenyl)pyrimidine-2,4-diamine
CID 112904153
4-[[4-(3-chloro-4-fluoroanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 86624104
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 163404124
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156
4-(3-chloro-4-fluoroanilino)-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]quinoline-3-carbonitrile
CID 166596616
4-N-(4-methylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901954

Frequently Asked Questions

What is the IUPAC name of azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 145468383) is azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is CN1CCN(c2ccc(Nc3nccc(Nc4ccc(F)c(Cl)c4)n3)cn2)CC1.N.
What is the InChIKey of azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is QCDQUSOAUFYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN7.H3N/c1-28-8-10-29(11-9-28)19-5-3-15(13-24-19)26-20-23-7-6-18(27-20)25-14-2-4-17(22)16(21)12-14;/h2-7,12-13H,8-11H2,1H3,(H2,23,25,26,27);1H3.
What are the key properties of azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine?
azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 430.92 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 145468383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).