N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C14H20IN5O — CID 66295855

IUPACN-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I
InChIInChI=1S/C14H20IN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyYSRCXSODBFNQTG-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66295855) has the molecular formula C14H20IN5O and a molecular weight of 401.25 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66295855
Molecular FormulaC14H20IN5O
Molecular Weight401.25 g/mol
Exact Mass401.07
IUPAC NameN-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I
InChIInChI=1S/C14H20IN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18)
InChIKeyYSRCXSODBFNQTG-UHFFFAOYSA-N
XLogP2.68
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 48391092
6-(Methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 55062298
6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62318403
N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62318594
6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62320614
[6-(Methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 62320697
5-iodo-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66295357
5-Bromo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66295644
5-iodo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66296044
5-bromo-6-(methoxymethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66296998
5-bromo-N-ethyl-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66296999
N-ethyl-5-iodo-6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66297090

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 66295855) is N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CCNc1nc(-c2c(C)nn(C)c2C)nc(COC)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is YSRCXSODBFNQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5O/c1-6-16-14-12(15)10(7-21-5)17-13(18-14)11-8(2)19-20(4)9(11)3/h6-7H2,1-5H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 401.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-(methoxymethyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66295855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).