2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide

C11H17N5O2 — CID 107550636

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CC(CO)OCC2C)n1
InChIInChI=1S/C11H17N5O2/c1-7-6-18-8(5-17)4-16(7)11-14-3-2-9(15-11)10(12)13/h2-3,7-8,17H,4-6H2,1H3,(H3,12,13)
InChIKeyDRUPZKHUDNHRCQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.65
Rot. Bonds3

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide (PubChem CID 107550636) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
PubChem CID107550636
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CC(CO)OCC2C)n1
InChIInChI=1S/C11H17N5O2/c1-7-6-18-8(5-17)4-16(7)11-14-3-2-9(15-11)10(12)13/h2-3,7-8,17H,4-6H2,1H3,(H3,12,13)
InChIKeyDRUPZKHUDNHRCQ-UHFFFAOYSA-N
XLogP-0.65
TPSA108.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
(5-methyl-4-quinazolin-2-ylmorpholin-2-yl)methanol
CID 114789622
[5-methyl-4-[2-(methylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218201
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
CID 107930580
5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81202711
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-2-carbothioamide
CID 81203310
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide (CID 107550636) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CC(CO)OCC2C)n1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide?
The InChIKey is DRUPZKHUDNHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-6-18-8(5-17)4-16(7)11-14-3-2-9(15-11)10(12)13/h2-3,7-8,17H,4-6H2,1H3,(H3,12,13).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).