4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol

C21H29N3O4 — CID 145144075

IUPAC4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol
SMILESC/C=C\c1c(C)ncnc1C.Cc1cc(C(O)C2OC(C)C(O)C2O)ccn1
InChIInChI=1S/C12H17NO4.C9H12N2/c1-6-5-8(3-4-13-6)10(15)12-11(16)9(14)7(2)17-12;1-4-5-9-7(2)10-6-11-8(9)3/h3-5,7,9-12,14-16H,1-2H3;4-6H,1-3H3/b;5-4-
InChIKeyDFIPSWRFJVJIPN-GUHKXDMSSA-N
MW387.48 g/mol
LogP2.06
Rot. Bonds3

About 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol

4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol (PubChem CID 145144075) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol
PubChem CID145144075
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol
SMILESC/C=C\c1c(C)ncnc1C.Cc1cc(C(O)C2OC(C)C(O)C2O)ccn1
InChIInChI=1S/C12H17NO4.C9H12N2/c1-6-5-8(3-4-13-6)10(15)12-11(16)9(14)7(2)17-12;1-4-5-9-7(2)10-6-11-8(9)3/h3-5,7,9-12,14-16H,1-2H3;4-6H,1-3H3/b;5-4-
InChIKeyDFIPSWRFJVJIPN-GUHKXDMSSA-N
XLogP2.06
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol?
The IUPAC name of 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol (CID 145144075) is 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol is C/C=C\c1c(C)ncnc1C.Cc1cc(C(O)C2OC(C)C(O)C2O)ccn1.
What is the InChIKey of 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol?
The InChIKey is DFIPSWRFJVJIPN-GUHKXDMSSA-N. The full InChI is InChI=1S/C12H17NO4.C9H12N2/c1-6-5-8(3-4-13-6)10(15)12-11(16)9(14)7(2)17-12;1-4-5-9-7(2)10-6-11-8(9)3/h3-5,7,9-12,14-16H,1-2H3;4-6H,1-3H3/b;5-4-.
What are the key properties of 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol?
4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol has a molecular weight of 387.48 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 145144075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).