4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine

C20H23N7O — CID 66738881

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2nc(C=Cc3ccccc3)nc(N3CCOCC3)c2N)n[nH]1
InChIInChI=1S/C20H23N7O/c1-14-13-17(26-25-14)23-19-18(21)20(27-9-11-28-12-10-27)24-16(22-19)8-7-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyKDIJEBACHFXVLA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.84
Rot. Bonds5

About 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine (PubChem CID 66738881) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine
PubChem CID66738881
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2nc(C=Cc3ccccc3)nc(N3CCOCC3)c2N)n[nH]1
InChIInChI=1S/C20H23N7O/c1-14-13-17(26-25-14)23-19-18(21)20(27-9-11-28-12-10-27)24-16(22-19)8-7-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyKDIJEBACHFXVLA-UHFFFAOYSA-N
XLogP2.84
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(E)-2-(4-iodophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-4,5-diamine
CID 163898504
4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-(2-phenylethenyl)pyrimidine-4,6-diamine
CID 91499361
2-[2-(4-fluorophenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 66913072
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
6-(4,4-dimethylpiperazin-4-ium-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-phenylethenyl)pyrimidin-4-amine
CID 91155794
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-methylpyrrolidin-1-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 89062021
N-(5-methyl-1H-pyrazol-3-yl)-6-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylethenyl)pyrimidin-4-amine
CID 67429194
1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(E)-2-phenylethenyl]pyrimidin-4-yl]azepan-4-ol
CID 143436235
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 50993955
(2S,3S)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 66576993
(11E)-8-N-(5-methyl-1H-pyrazol-3-yl)-5,9,18-triazatetracyclo[11.2.2.22,5.16,10]icosa-1(15),6(18),7,9,11,13,16-heptaene-7,8-diamine
CID 143436207

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine (CID 66738881) is 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine is Cc1cc(Nc2nc(C=Cc3ccccc3)nc(N3CCOCC3)c2N)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine?
The InChIKey is KDIJEBACHFXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-13-17(26-25-14)23-19-18(21)20(27-9-11-28-12-10-27)24-16(22-19)8-7-15-5-3-2-4-6-15/h2-8,13H,9-12,21H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine has a molecular weight of 377.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-(2-phenylethenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 66738881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).