5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine

C16H22N6O — CID 118055675

IUPAC5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(Nc2cc(NCC3CNCCO3)c(C)cn2)cn1
InChIInChI=1S/C16H22N6O/c1-11-6-20-15(22-16-10-18-12(2)7-21-16)5-14(11)19-9-13-8-17-3-4-23-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3,(H2,19,20,21,22)
InChIKeyIFYAMHXXJIASJN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.63
Rot. Bonds5

About 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine

5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine (PubChem CID 118055675) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine
PubChem CID118055675
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine
SMILESCc1cnc(Nc2cc(NCC3CNCCO3)c(C)cn2)cn1
InChIInChI=1S/C16H22N6O/c1-11-6-20-15(22-16-10-18-12(2)7-21-16)5-14(11)19-9-13-8-17-3-4-23-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3,(H2,19,20,21,22)
InChIKeyIFYAMHXXJIASJN-UHFFFAOYSA-N
XLogP1.63
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[6-methyl-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594587
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
5-[[5-(morpholin-2-ylmethylamino)-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594643
5-[[6-chloro-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594915
2-N-(5-ethynylpyrazin-2-yl)-5-(3-methoxyprop-1-ynyl)-4-N-[[(2S)-morpholin-2-yl]methyl]pyridine-2,4-diamine
CID 88882323
5-[[6-(2-cyanopropan-2-yl)-5-(morpholin-2-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595004
2-N-(5-ethynylpyrazin-2-yl)-5-(4-fluorophenyl)-4-N-[[(2S)-morpholin-2-yl]methyl]pyridine-2,4-diamine
CID 88882317
5-[[6-isocyano-5-[[(2S)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164942061
5-[[6-(2-methoxypropan-2-yl)-5-[[(2R)-morpholin-2-yl]methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594612
5-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
CID 106550259
2-N-(5-ethynylpyrazin-2-yl)-5-[4-(methoxymethyl)phenyl]-4-N-[[(2R)-morpholin-2-yl]methyl]pyridine-2,4-diamine
CID 88882320
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine (CID 118055675) is 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine is Cc1cnc(Nc2cc(NCC3CNCCO3)c(C)cn2)cn1.
What is the InChIKey of 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine?
The InChIKey is IFYAMHXXJIASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-6-20-15(22-16-10-18-12(2)7-21-16)5-14(11)19-9-13-8-17-3-4-23-13/h5-7,10,13,17H,3-4,8-9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine?
5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(5-methylpyrazin-2-yl)-4-N-(morpholin-2-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 118055675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).