4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C14H24N4O2 — CID 104767340

IUPAC4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-6-15-12-11(2)13(18-10-17-12)16-8-14(19-3)5-7-20-9-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDWZMPYUCAHZQG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.82
Rot. Bonds7

About 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 104767340) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID104767340
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2(OC)CCOC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-6-15-12-11(2)13(18-10-17-12)16-8-14(19-3)5-7-20-9-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDWZMPYUCAHZQG-UHFFFAOYSA-N
XLogP1.82
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104767552
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103334
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 104705673
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689
2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyridine-3-carbothioamide
CID 104761865
methyl 4-[(3-methoxyoxolan-3-yl)methylamino]pyrimidine-2-carboxylate
CID 104762745

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 104767340) is 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2(OC)CCOC2)c1C.
What is the InChIKey of 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HDWZMPYUCAHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-6-15-12-11(2)13(18-10-17-12)16-8-14(19-3)5-7-20-9-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).