6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

C14H15IN4 — CID 66301547

IUPAC6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCNc1nc(Cc2ccncc2)nc(C2CC2)c1I
InChIInChI=1S/C14H15IN4/c1-16-14-12(15)13(10-2-3-10)18-11(19-14)8-9-4-6-17-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19)
InChIKeyGHLYBQOMBWPXPD-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.99
Rot. Bonds4

About 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66301547) has the molecular formula C14H15IN4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID66301547
Molecular FormulaC14H15IN4
Molecular Weight366.21 g/mol
Exact Mass366.03
IUPAC Name6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCNc1nc(Cc2ccncc2)nc(C2CC2)c1I
InChIInChI=1S/C14H15IN4/c1-16-14-12(15)13(10-2-3-10)18-11(19-14)8-9-4-6-17-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19)
InChIKeyGHLYBQOMBWPXPD-UHFFFAOYSA-N
XLogP2.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 66301547) is 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is CNc1nc(Cc2ccncc2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is GHLYBQOMBWPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4/c1-16-14-12(15)13(10-2-3-10)18-11(19-14)8-9-4-6-17-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,16,18,19).
What are the key properties of 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 366.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).