6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine

C16H21IN4 — CID 66301189

IUPAC6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccn2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-9-19-15-12(17)13(16(2,3)4)20-14(21-15)11-8-6-7-10-18-11/h6-8,10H,5,9H2,1-4H3,(H,19,20,21)
InChIKeyBGQDCHNFQYORMD-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.26
Rot. Bonds4

About 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine

6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 66301189) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID66301189
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccn2)nc(C(C)(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-9-19-15-12(17)13(16(2,3)4)20-14(21-15)11-8-6-7-10-18-11/h6-8,10H,5,9H2,1-4H3,(H,19,20,21)
InChIKeyBGQDCHNFQYORMD-UHFFFAOYSA-N
XLogP4.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.26
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

6-tert-butyl-5-iodo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66300401
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
6-tert-butyl-N-ethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66299219
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
6-tert-butyl-5-iodo-N,2-dipropylpyrimidin-4-amine
CID 66299026
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine (CID 66301189) is 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine is CCCNc1nc(-c2ccccn2)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is BGQDCHNFQYORMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-5-9-19-15-12(17)13(16(2,3)4)20-14(21-15)11-8-6-7-10-18-11/h6-8,10H,5,9H2,1-4H3,(H,19,20,21).
What are the key properties of 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine?
6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).