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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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).