N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine

C12H19IN4 — CID 105420240

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncncc1I
InChIInChI=1S/C12H19IN4/c1-16(2)12(5-4-6-12)8-17(3)11-10(13)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3
InChIKeyZFMYKSKVTJLOLQ-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.00
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 105420240) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
PubChem CID105420240
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
SMILESCN(CC1(N(C)C)CCC1)c1ncncc1I
InChIInChI=1S/C12H19IN4/c1-16(2)12(5-4-6-12)8-17(3)11-10(13)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3
InChIKeyZFMYKSKVTJLOLQ-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66319979
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine
CID 105414104
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105415083
N-(2-ethoxyethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 81061842
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
N-[(4-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340839
5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66340183
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233
N-(5-iodopyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918118
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,5-N-dimethylpyridine-3,5-diamine
CID 105420972

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine (CID 105420240) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine is CN(CC1(N(C)C)CCC1)c1ncncc1I.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is ZFMYKSKVTJLOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c1-16(2)12(5-4-6-12)8-17(3)11-10(13)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 346.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 105420240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).