5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride

C14H24ClIN4 — CID 71298777

IUPAC5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride
SMILESCC(C)N1CCCCC1c1nc(N(C)C)ncc1I.Cl
InChIInChI=1S/C14H23IN4.ClH/c1-10(2)19-8-6-5-7-12(19)13-11(15)9-16-14(17-13)18(3)4;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyICCRVUUZNPYXPR-UHFFFAOYSA-N
MW410.73 g/mol
LogP3.50
Rot. Bonds3

About 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride

5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 71298777) has the molecular formula C14H24ClIN4 and a molecular weight of 410.73 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride
PubChem CID71298777
Molecular FormulaC14H24ClIN4
Molecular Weight410.73 g/mol
Exact Mass410.07
IUPAC Name5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride
SMILESCC(C)N1CCCCC1c1nc(N(C)C)ncc1I.Cl
InChIInChI=1S/C14H23IN4.ClH/c1-10(2)19-8-6-5-7-12(19)13-11(15)9-16-14(17-13)18(3)4;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyICCRVUUZNPYXPR-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.73
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride (CID 71298777) is 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride is CC(C)N1CCCCC1c1nc(N(C)C)ncc1I.Cl.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride?
The InChIKey is ICCRVUUZNPYXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4.ClH/c1-10(2)19-8-6-5-7-12(19)13-11(15)9-16-14(17-13)18(3)4;/h9-10,12H,5-8H2,1-4H3;1H.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride?
5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 410.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71298777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).