5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine

C12H20IN3 — CID 102907842

IUPAC5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
SMILESCC(C)C(CNc1ncc(I)cn1)C(C)C
InChIInChI=1S/C12H20IN3/c1-8(2)11(9(3)4)7-16-12-14-5-10(13)6-15-12/h5-6,8-9,11H,7H2,1-4H3,(H,14,15,16)
InChIKeyIHOLPFFSKRSFSV-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.42
Rot. Bonds5

About 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine

5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine (PubChem CID 102907842) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
PubChem CID102907842
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
SMILESCC(C)C(CNc1ncc(I)cn1)C(C)C
InChIInChI=1S/C12H20IN3/c1-8(2)11(9(3)4)7-16-12-14-5-10(13)6-15-12/h5-6,8-9,11H,7H2,1-4H3,(H,14,15,16)
InChIKeyIHOLPFFSKRSFSV-UHFFFAOYSA-N
XLogP3.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.42
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

N-(4-chloro-2-methylbutyl)-5-iodopyrimidin-2-amine
CID 116649542
(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
CID 130683912
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838
3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
CID 104844107
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
1-cyclopropyl-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116648669
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
CID 79557408
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
2-(3,3-dimethylbutan-2-yl)-5-iodopyrimidine
CID 176739164
5-iodo-N-pentan-2-ylpyrimidin-2-amine
CID 104840001

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine (CID 102907842) is 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine is CC(C)C(CNc1ncc(I)cn1)C(C)C.
What is the InChIKey of 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine?
The InChIKey is IHOLPFFSKRSFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-8(2)11(9(3)4)7-16-12-14-5-10(13)6-15-12/h5-6,8-9,11H,7H2,1-4H3,(H,14,15,16).
What are the key properties of 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine?
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine has a molecular weight of 333.22 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 102907842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).