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

C10H15ClN4O2 — CID 104759022

IUPAC6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCOC1(CNc2ncnc(Cl)c2N)CCOC1
InChIInChI=1S/C10H15ClN4O2/c1-16-10(2-3-17-5-10)4-13-9-7(12)8(11)14-6-15-9/h6H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyFNYYKCGYKVKQJK-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.93
Rot. Bonds4

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

6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine (PubChem CID 104759022) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
PubChem CID104759022
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
SMILESCOC1(CNc2ncnc(Cl)c2N)CCOC1
InChIInChI=1S/C10H15ClN4O2/c1-16-10(2-3-17-5-10)4-13-9-7(12)8(11)14-6-15-9/h6H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyFNYYKCGYKVKQJK-UHFFFAOYSA-N
XLogP0.93
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.93
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
4-N-[(3-methoxyoxolan-3-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 104767340
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
CID 104767567
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
CID 106812371
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
CID 114478239
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]quinazolin-4-amine
CID 104764581
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine (CID 104759022) is 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine is COC1(CNc2ncnc(Cl)c2N)CCOC1.
What is the InChIKey of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine?
The InChIKey is FNYYKCGYKVKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-16-10(2-3-17-5-10)4-13-9-7(12)8(11)14-6-15-9/h6H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine has a molecular weight of 258.71 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 104759022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).