N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine

C10H16IN3 — CID 104840124

IUPACN-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
SMILESCC(C)(C)CCNc1ncc(I)cn1
InChIInChI=1S/C10H16IN3/c1-10(2,3)4-5-12-9-13-6-8(11)7-14-9/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySCKCURXZVWHINW-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.93
Rot. Bonds3

About N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine

N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine (PubChem CID 104840124) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
PubChem CID104840124
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC NameN-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
SMILESCC(C)(C)CCNc1ncc(I)cn1
InChIInChI=1S/C10H16IN3/c1-10(2,3)4-5-12-9-13-6-8(11)7-14-9/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeySCKCURXZVWHINW-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 104844015
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
N-(3-fluoropropyl)-5-iodopyrimidin-2-amine
CID 130504349
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838
5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 104844019
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine (CID 104840124) is N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine is CC(C)(C)CCNc1ncc(I)cn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine?
The InChIKey is SCKCURXZVWHINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-10(2,3)4-5-12-9-13-6-8(11)7-14-9/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine?
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine has a molecular weight of 305.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104840124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).