5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine

C11H19BrN4 — CID 80841053

IUPAC5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(CC)(CC)Nc1nc(N)ncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-11(5-2,6-3)16-9-8(12)7-14-10(13)15-9/h7H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyUKTLBRSJHABHKQ-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.20
Rot. Bonds5

About 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine

5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80841053) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
PubChem CID80841053
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine
SMILESCCC(CC)(CC)Nc1nc(N)ncc1Br
InChIInChI=1S/C11H19BrN4/c1-4-11(5-2,6-3)16-9-8(12)7-14-10(13)15-9/h7H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyUKTLBRSJHABHKQ-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80768940
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366526
5-bromo-4-N-[(4-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 106900943
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495
5-bromo-4-N-[(2-ethylphenyl)methyl]pyrimidine-2,4-diamine
CID 80844137
2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 79534553
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179448
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine (CID 80841053) is 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine is CCC(CC)(CC)Nc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is UKTLBRSJHABHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-4-11(5-2,6-3)16-9-8(12)7-14-10(13)15-9/h7H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine?
5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 287.20 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-ethylpentan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80841053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).