2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C21H30N6O — CID 118721661

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCN1CCN(c2ccc(-c3nccc(NCCN4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
InChIKeyGKBKIOZEUFVKMO-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 118721661) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID118721661
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCN1CCN(c2ccc(-c3nccc(NCCN4CCOCC4)n3)cc2)CC1
InChIInChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
InChIKeyGKBKIOZEUFVKMO-UHFFFAOYSA-N
XLogP1.64
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Buparlisib
CID 16654980
Gdc-0349
CID 59239165
Fanotaprim
CID 134812633
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
Bisanilinopyrimidine, 9k
CID 70702158
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 118721661) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is CN1CCN(c2ccc(-c3nccc(NCCN4CCOCC4)n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is GKBKIOZEUFVKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 118721661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).