N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

C11H14IN5 — CID 80653887

IUPACN-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cn2cc(I)cn2)n1
InChIInChI=1S/C11H14IN5/c1-3-13-10-4-8(2)15-11(16-10)7-17-6-9(12)5-14-17/h4-6H,3,7H2,1-2H3,(H,13,15,16)
InChIKeySILFPSRYPUFWFX-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.07
Rot. Bonds4

About N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80653887) has the molecular formula C11H14IN5 and a molecular weight of 343.17 g/mol. Its IUPAC name is N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID80653887
Molecular FormulaC11H14IN5
Molecular Weight343.17 g/mol
Exact Mass343.03
IUPAC NameN-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(Cn2cc(I)cn2)n1
InChIInChI=1S/C11H14IN5/c1-3-13-10-4-8(2)15-11(16-10)7-17-6-9(12)5-14-17/h4-6H,3,7H2,1-2H3,(H,13,15,16)
InChIKeySILFPSRYPUFWFX-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.07
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

2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80653962
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654720
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654658
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 80653887) is N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(Cn2cc(I)cn2)n1.
What is the InChIKey of N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is SILFPSRYPUFWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5/c1-3-13-10-4-8(2)15-11(16-10)7-17-6-9(12)5-14-17/h4-6H,3,7H2,1-2H3,(H,13,15,16).
What are the key properties of N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 343.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80653887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).