4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide

C11H17N5O — CID 112755752

IUPAC4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N(C)C1CCOCC1
InChIInChI=1S/C11H17N5O/c1-16(8-2-4-17-5-3-8)11-9(10(12)13)6-14-7-15-11/h6-8H,2-5H2,1H3,(H3,12,13)
InChIKeyNIVBBLIPWGQRIL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.38
Rot. Bonds3

About 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide

4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide (PubChem CID 112755752) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
PubChem CID112755752
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cncnc1N(C)C1CCOCC1
InChIInChI=1S/C11H17N5O/c1-16(8-2-4-17-5-3-8)11-9(10(12)13)6-14-7-15-11/h6-8H,2-5H2,1H3,(H3,12,13)
InChIKeyNIVBBLIPWGQRIL-UHFFFAOYSA-N
XLogP0.38
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 114216043
4-morpholin-4-ylpyrimidine-5-carboximidamide
CID 83883158
2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
CID 63883955
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748952
5-[methyl(oxolan-3-yl)amino]pyrazine-2-carboximidamide
CID 82739782
4-N,5-dimethyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789731
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-[methyl(oxan-4-yl)amino]pyrazine-2-carbothioamide
CID 55102848
4-[propyl(2,2,2-trifluoroethyl)amino]pyrimidine-5-carboximidamide
CID 112755775
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
CID 43296742
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide?
The IUPAC name of 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide (CID 112755752) is 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide.
What is the SMILES notation for 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide?
The canonical SMILES for 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide is [H]/N=C(\N)c1cncnc1N(C)C1CCOCC1.
What is the InChIKey of 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide?
The InChIKey is NIVBBLIPWGQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-16(8-2-4-17-5-3-8)11-9(10(12)13)6-14-7-15-11/h6-8H,2-5H2,1H3,(H3,12,13).
What are the key properties of 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide?
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide is sourced from PubChem (CID 112755752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).