4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C14H26N4O — CID 80772911

IUPAC4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCOC)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-5-7-15-13-12(11(2)3)14(18-10-17-13)16-8-6-9-19-4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyMCDAHNAVPRYDTP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.87
Rot. Bonds9

About 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80772911) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80772911
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCCOC)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-5-7-15-13-12(11(2)3)14(18-10-17-13)16-8-6-9-19-4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyMCDAHNAVPRYDTP-UHFFFAOYSA-N
XLogP2.87
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.87
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-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80819527
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80772911) is 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCCOC)c1C(C)C.
What is the InChIKey of 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MCDAHNAVPRYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-7-15-13-12(11(2)3)14(18-10-17-13)16-8-6-9-19-4/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).