4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine

C12H17IN4O — CID 89307336

IUPAC4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine
SMILESC=CN(c1nc(C)nc(I)c1N)C1CCCCO1
InChIInChI=1S/C12H17IN4O/c1-3-17(9-6-4-5-7-18-9)12-10(14)11(13)15-8(2)16-12/h3,9H,1,4-7,14H2,2H3
InChIKeyXAUCZPKXJOXERM-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.45
Rot. Bonds3

About 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine

4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine (PubChem CID 89307336) has the molecular formula C12H17IN4O and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine
PubChem CID89307336
Molecular FormulaC12H17IN4O
Molecular Weight360.20 g/mol
Exact Mass360.04
IUPAC Name4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine
SMILESC=CN(c1nc(C)nc(I)c1N)C1CCCCO1
InChIInChI=1S/C12H17IN4O/c1-3-17(9-6-4-5-7-18-9)12-10(14)11(13)15-8(2)16-12/h3,9H,1,4-7,14H2,2H3
InChIKeyXAUCZPKXJOXERM-UHFFFAOYSA-N
XLogP2.45
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine
CID 167136807
2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine
CID 143142837
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
4-chloro-2-methyl-6-[2-(oxan-2-yloxy)ethoxy]pyrimidin-5-amine
CID 151701701
4-N,2,5-trimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80795760
(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine
CID 167130251
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)-N-methylmethanimine;2-methyloxane
CID 145352443
3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
N-methyl-N-propyloxan-2-amine
CID 91002672
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine
CID 165127677
5-methyl-3-(oxan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70695147

Frequently Asked Questions

What is the IUPAC name of 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine (CID 89307336) is 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine is C=CN(c1nc(C)nc(I)c1N)C1CCCCO1.
What is the InChIKey of 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is XAUCZPKXJOXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4O/c1-3-17(9-6-4-5-7-18-9)12-10(14)11(13)15-8(2)16-12/h3,9H,1,4-7,14H2,2H3.
What are the key properties of 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine?
4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 360.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 89307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).