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

C11H18N4O2 — CID 104767329

IUPAC4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(OC)CCOC2)ncn1
InChIInChI=1S/C11H18N4O2/c1-12-9-5-10(15-8-14-9)13-6-11(16-2)3-4-17-7-11/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLAIKNDORZVVOGZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds5

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

4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 104767329) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID104767329
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(OC)CCOC2)ncn1
InChIInChI=1S/C11H18N4O2/c1-12-9-5-10(15-8-14-9)13-6-11(16-2)3-4-17-7-11/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyLAIKNDORZVVOGZ-UHFFFAOYSA-N
XLogP0.74
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
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]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 104767329) is 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCC2(OC)CCOC2)ncn1.
What is the InChIKey of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LAIKNDORZVVOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-9-5-10(15-8-14-9)13-6-11(16-2)3-4-17-7-11/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 238.29 g/mol, XLogP of 0.74, 5 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]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).