5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine

C11H11IN4 — CID 114956718

IUPAC5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccncc1CNc1ncc(I)cn1
InChIInChI=1S/C11H11IN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyLHBVDRKGHLPBJX-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.40
Rot. Bonds3

About 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine

5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 114956718) has the molecular formula C11H11IN4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID114956718
Molecular FormulaC11H11IN4
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccncc1CNc1ncc(I)cn1
InChIInChI=1S/C11H11IN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyLHBVDRKGHLPBJX-UHFFFAOYSA-N
XLogP2.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.40
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

5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 114956718) is 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is Cc1ccncc1CNc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is LHBVDRKGHLPBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4/c1-8-2-3-13-4-9(8)5-14-11-15-6-10(12)7-16-11/h2-4,6-7H,5H2,1H3,(H,14,15,16).
What are the key properties of 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine?
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 326.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).