6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C14H21N7O — CID 163740126

IUPAC6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCNc1nccn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C14H21N7O/c1-15-14-17-3-5-21(14)13-10-12(18-11-19-13)16-2-4-20-6-8-22-9-7-20/h3,5,10-11H,2,4,6-9H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyLHAJEAHDUJNEAT-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.45
Rot. Bonds6

About 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 163740126) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID163740126
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCNc1nccn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C14H21N7O/c1-15-14-17-3-5-21(14)13-10-12(18-11-19-13)16-2-4-20-6-8-22-9-7-20/h3,5,10-11H,2,4,6-9H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyLHAJEAHDUJNEAT-UHFFFAOYSA-N
XLogP0.45
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
CID 67175089
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192684
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
6-[3-bromo-6-(4-methoxyphenyl)indol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50992374
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80805097
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 163740126) is 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is CNc1nccn1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is LHAJEAHDUJNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-15-14-17-3-5-21(14)13-10-12(18-11-19-13)16-2-4-20-6-8-22-9-7-20/h3,5,10-11H,2,4,6-9H2,1H3,(H,15,17)(H,16,18,19).
What are the key properties of 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 163740126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).