N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine

C14H23IN4 — CID 104840347

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine
SMILESCC1CCCC(CNc2ncc(I)cn2)(N(C)C)C1
InChIInChI=1S/C14H23IN4/c1-11-5-4-6-14(7-11,19(2)3)10-18-13-16-8-12(15)9-17-13/h8-9,11H,4-7,10H2,1-3H3,(H,16,17,18)
InChIKeyYJHFTMXXMIICDV-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.00
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine (PubChem CID 104840347) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine
PubChem CID104840347
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine
SMILESCC1CCCC(CNc2ncc(I)cn2)(N(C)C)C1
InChIInChI=1S/C14H23IN4/c1-11-5-4-6-14(7-11,19(2)3)10-18-13-16-8-12(15)9-17-13/h8-9,11H,4-7,10H2,1-3H3,(H,16,17,18)
InChIKeyYJHFTMXXMIICDV-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
CID 61212119
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methylpyrimidin-4-amine
CID 106194269
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133271576
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
4-bromo-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazol-2-amine
CID 79400117
4-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazol-2-amine
CID 83152057
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile
CID 61210617
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-6-ethoxypyridin-2-amine
CID 63591470
4-chloro-6-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyrimidine-5-carbaldehyde
CID 106194260
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
CID 104844190

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine (CID 104840347) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine is CC1CCCC(CNc2ncc(I)cn2)(N(C)C)C1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine?
The InChIKey is YJHFTMXXMIICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-11-5-4-6-14(7-11,19(2)3)10-18-13-16-8-12(15)9-17-13/h8-9,11H,4-7,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine has a molecular weight of 374.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104840347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).