N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

C16H24N6O — CID 110113016

IUPACN-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCCCn1cc(CN2CCOC(c3nccnc3NC)C2)cn1
InChIInChI=1S/C16H24N6O/c1-3-6-22-11-13(9-20-22)10-21-7-8-23-14(12-21)15-16(17-2)19-5-4-18-15/h4-5,9,11,14H,3,6-8,10,12H2,1-2H3,(H,17,19)
InChIKeyMDLFITPRRJFJAO-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine

N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (PubChem CID 110113016) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
PubChem CID110113016
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCCCn1cc(CN2CCOC(c3nccnc3NC)C2)cn1
InChIInChI=1S/C16H24N6O/c1-3-6-22-11-13(9-20-22)10-21-7-8-23-14(12-21)15-16(17-2)19-5-4-18-15/h4-5,9,11,14H,3,6-8,10,12H2,1-2H3,(H,17,19)
InChIKeyMDLFITPRRJFJAO-UHFFFAOYSA-N
XLogP1.70
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112883
3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124941563
N-methyl-3-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112876
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113015
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113025
(2R)-2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 125007383
3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113004
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine (CID 110113016) is N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is CCCn1cc(CN2CCOC(c3nccnc3NC)C2)cn1.
What is the InChIKey of N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The InChIKey is MDLFITPRRJFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-6-22-11-13(9-20-22)10-21-7-8-23-14(12-21)15-16(17-2)19-5-4-18-15/h4-5,9,11,14H,3,6-8,10,12H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 110113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).