2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine

C12H22N4O — CID 112885911

IUPAC2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(NCCOC)n1
InChIInChI=1S/C12H22N4O/c1-3-4-5-7-13-11-6-8-14-12(16-11)15-9-10-17-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,13,14,15,16)
InChIKeyGSKZCFPFTZJOKK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds9

About 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine (PubChem CID 112885911) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
PubChem CID112885911
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
SMILESCCCCCNc1ccnc(NCCOC)n1
InChIInChI=1S/C12H22N4O/c1-3-4-5-7-13-11-6-8-14-12(16-11)15-9-10-17-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,13,14,15,16)
InChIKeyGSKZCFPFTZJOKK-UHFFFAOYSA-N
XLogP2.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882662
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
4-N-butyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112882836
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine (CID 112885911) is 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine is CCCCCNc1ccnc(NCCOC)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine?
The InChIKey is GSKZCFPFTZJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-5-7-13-11-6-8-14-12(16-11)15-9-10-17-2/h6,8H,3-5,7,9-10H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine is sourced from PubChem (CID 112885911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).