5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine

C10H17BrN4O2 — CID 126805552

IUPAC5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ncc(Br)c(NCCOC)n1
InChIInChI=1S/C10H17BrN4O2/c1-16-5-3-12-9-8(11)7-14-10(15-9)13-4-6-17-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKCKTWTVEHDVGSV-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.36
Rot. Bonds8

About 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine

5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 126805552) has the molecular formula C10H17BrN4O2 and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID126805552
Molecular FormulaC10H17BrN4O2
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC Name5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ncc(Br)c(NCCOC)n1
InChIInChI=1S/C10H17BrN4O2/c1-16-5-3-12-9-8(11)7-14-10(15-9)13-4-6-17-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKCKTWTVEHDVGSV-UHFFFAOYSA-N
XLogP1.36
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-Bromo-2-(1-pyrrolidinyl)-4-pyrimidinyl]morpholine
CID 889680
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
5-Bromo-2-methoxypyrimidin-4-amine
CID 45789781
5-Bromo-2-(methoxymethyl)pyrimidine
CID 89881653
5-bromo-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981394
Pyrimidine, 2-amino-5-bromo-4-methylamino-
CID 56923644
5-Bromo-N2-methyl-2,4-pyrimidinediamine
CID 80797858
3-[(5-Bromopyrimidin-2-yl)oxy]propan-1-amine hydrochloride
CID 166000452
Pyrimidine, 5-bromo-2-dimethylamino-4-methylamino-
CID 66303061
Pyrimidine, 5-bromo-4-butylamino-
CID 66340315
Pyrimidine, 5-bromo-4-dimethylamino-2-methylamino-
CID 80765665
5-bromo-N-(2,2-dimethoxyethyl)-2-methylsulfanylpyrimidin-4-amine
CID 130303560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine (CID 126805552) is 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1ncc(Br)c(NCCOC)n1.
What is the InChIKey of 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is KCKTWTVEHDVGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O2/c1-16-5-3-12-9-8(11)7-14-10(15-9)13-4-6-17-2/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine?
5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 305.18 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126805552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).