6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine

C14H24IN3 — CID 66299026

IUPAC6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-6-8-10-17-12(14(3,4)5)11(15)13(18-10)16-9-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyZJCMMMGDBKQFNF-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.15
Rot. Bonds5

About 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine

6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine (PubChem CID 66299026) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
PubChem CID66299026
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(CCC)nc(C(C)(C)C)c1I
InChIInChI=1S/C14H24IN3/c1-6-8-10-17-12(14(3,4)5)11(15)13(18-10)16-9-7-2/h6-9H2,1-5H3,(H,16,17,18)
InChIKeyZJCMMMGDBKQFNF-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-butyl-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 79411802
6-tert-butyl-2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66298625
6-tert-butyl-5-iodo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66300401
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66299616
6-tert-butyl-5-iodo-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298229
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
CID 66301189
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815296
2-[2-(dimethylamino)ethyl]-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 115347061
5-iodo-6-methyl-2-(3-methylbutyl)-N-propylpyrimidin-4-amine
CID 66307320
5-iodo-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306125

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine (CID 66299026) is 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine is CCCNc1nc(CCC)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine?
The InChIKey is ZJCMMMGDBKQFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24IN3/c1-6-8-10-17-12(14(3,4)5)11(15)13(18-10)16-9-7-2/h6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine?
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine has a molecular weight of 361.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 66299026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).