N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide

C11H15F2N7O — CID 174352551

IUPACN-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(N)c1cnc(N)nc1C(F)F)N1CCOCC1
InChIInChI=1S/C11H15F2N7O/c12-8(13)7-6(5-17-10(15)18-7)9(14)19-11(16)20-1-3-21-4-2-20/h5,8H,1-4H2,(H3,14,16,19)(H2,15,17,18)
InChIKeyWEUWQAJQHHSLNG-UHFFFAOYSA-N
MW299.28 g/mol
LogP-0.03
Rot. Bonds2

About N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide

N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide (PubChem CID 174352551) has the molecular formula C11H15F2N7O and a molecular weight of 299.28 g/mol. Its IUPAC name is N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide
PubChem CID174352551
Molecular FormulaC11H15F2N7O
Molecular Weight299.28 g/mol
Exact Mass299.13
IUPAC NameN-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide
SMILES[H]/N=C(/N=C(N)c1cnc(N)nc1C(F)F)N1CCOCC1
InChIInChI=1S/C11H15F2N7O/c12-8(13)7-6(5-17-10(15)18-7)9(14)19-11(16)20-1-3-21-4-2-20/h5,8H,1-4H2,(H3,14,16,19)(H2,15,17,18)
InChIKeyWEUWQAJQHHSLNG-UHFFFAOYSA-N
XLogP-0.03
TPSA126.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide?
The IUPAC name of N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide (CID 174352551) is N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide.
What is the SMILES notation for N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide?
The canonical SMILES for N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide is [H]/N=C(/N=C(N)c1cnc(N)nc1C(F)F)N1CCOCC1.
What is the InChIKey of N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide?
The InChIKey is WEUWQAJQHHSLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N7O/c12-8(13)7-6(5-17-10(15)18-7)9(14)19-11(16)20-1-3-21-4-2-20/h5,8H,1-4H2,(H3,14,16,19)(H2,15,17,18).
What are the key properties of N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide?
N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide has a molecular weight of 299.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]methylidene]morpholine-4-carboximidamide is sourced from PubChem (CID 174352551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).