[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide

C11H11N5O — CID 115266626

IUPAC[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(Nc2ccc(C)o2)n1
InChIInChI=1S/C11H11N5O/c1-7-3-4-11(17-7)16-10-5-9(13-6-12)14-8(2)15-10/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyGHSZPJFOBUJYTP-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.32
Rot. Bonds3

About [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide

[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide (PubChem CID 115266626) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide
PubChem CID115266626
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(Nc2ccc(C)o2)n1
InChIInChI=1S/C11H11N5O/c1-7-3-4-11(17-7)16-10-5-9(13-6-12)14-8(2)15-10/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyGHSZPJFOBUJYTP-UHFFFAOYSA-N
XLogP2.32
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-phenylfuro[2,3-d]pyrimidin-4-amine
CID 90645477
(E)-3-(5-methylfuran-2-yl)-N-[6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]pyridin-2-yl]prop-2-enamide
CID 5503855
(E)-N-(6-fluoro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
CID 104820724
(E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 802434
N-(5-methylfuran-2-yl)pyridin-2-amine
CID 67548026
4-Methyl-6-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 71402414
2,6-Dimethylfuro[2,3-d]pyrimidin-4-amine
CID 82415152
4-N,6-N-dimethyl-2-N-(5-methylfuran-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 89506638
2-N,2-N-dimethyl-4-N-(5-methylfuran-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 89506641
2-N-(5-methylfuran-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 89506642
4-N-methyl-2-N-(5-methylfuran-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 89506706
2-N,2-N,4-N,4-N-tetramethyl-6-N-(5-methylfuran-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 89506711

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide?
The IUPAC name of [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide (CID 115266626) is [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide?
The canonical SMILES for [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide is Cc1nc(NC#N)cc(Nc2ccc(C)o2)n1.
What is the InChIKey of [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide?
The InChIKey is GHSZPJFOBUJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-7-3-4-11(17-7)16-10-5-9(13-6-12)14-8(2)15-10/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide?
[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide has a molecular weight of 229.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115266626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).