5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol

C14H24N4O4 — CID 145143955

IUPAC5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol
SMILESC/C=N/c1c(C)ncnc1N.C[C@@H]1O[C@H]([C@@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H10N4.C7H14O4/c1-3-9-6-5(2)10-4-11-7(6)8;1-3(8)7-6(10)5(9)4(2)11-7/h3-4H,1-2H3,(H2,8,10,11);3-10H,1-2H3/b9-3+;/t;3-,4+,5+,6+,7-/m.1/s1
InChIKeyGEHVYUCSWGHHFV-CBZXUGCQSA-N
MW312.37 g/mol
LogP-0.03
Rot. Bonds2

About 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol

5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol (PubChem CID 145143955) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol
PubChem CID145143955
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol
SMILESC/C=N/c1c(C)ncnc1N.C[C@@H]1O[C@H]([C@@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H10N4.C7H14O4/c1-3-9-6-5(2)10-4-11-7(6)8;1-3(8)7-6(10)5(9)4(2)11-7/h3-4H,1-2H3,(H2,8,10,11);3-10H,1-2H3/b9-3+;/t;3-,4+,5+,6+,7-/m.1/s1
InChIKeyGEHVYUCSWGHHFV-CBZXUGCQSA-N
XLogP-0.03
TPSA134.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol?
The IUPAC name of 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol (CID 145143955) is 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol is C/C=N/c1c(C)ncnc1N.C[C@@H]1O[C@H]([C@@H](C)O)[C@@H](O)[C@H]1O.
What is the InChIKey of 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol?
The InChIKey is GEHVYUCSWGHHFV-CBZXUGCQSA-N. The full InChI is InChI=1S/C7H10N4.C7H14O4/c1-3-9-6-5(2)10-4-11-7(6)8;1-3(8)7-6(10)5(9)4(2)11-7/h3-4H,1-2H3,(H2,8,10,11);3-10H,1-2H3/b9-3+;/t;3-,4+,5+,6+,7-/m.1/s1.
What are the key properties of 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol?
5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol has a molecular weight of 312.37 g/mol, XLogP of -0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylideneamino)-6-methylpyrimidin-4-amine;(2R,3S,4R,5S)-2-[(1R)-1-hydroxyethyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 145143955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).