(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol

C13H19N3O2 — CID 143464428

IUPAC(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol
SMILESC=CCOC/C(O)=C/C(C)Cc1ccnc(N)n1
InChIInChI=1S/C13H19N3O2/c1-3-6-18-9-12(17)8-10(2)7-11-4-5-15-13(14)16-11/h3-5,8,10,17H,1,6-7,9H2,2H3,(H2,14,15,16)/b12-8-
InChIKeyHDPPSSFMLUPUGD-WQLSENKSSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds7

About (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol

(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol (PubChem CID 143464428) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol
PubChem CID143464428
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol
SMILESC=CCOC/C(O)=C/C(C)Cc1ccnc(N)n1
InChIInChI=1S/C13H19N3O2/c1-3-6-18-9-12(17)8-10(2)7-11-4-5-15-13(14)16-11/h3-5,8,10,17H,1,6-7,9H2,2H3,(H2,14,15,16)/b12-8-
InChIKeyHDPPSSFMLUPUGD-WQLSENKSSA-N
XLogP1.88
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol?
The IUPAC name of (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol (CID 143464428) is (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol.
What is the SMILES notation for (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol?
The canonical SMILES for (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol is C=CCOC/C(O)=C/C(C)Cc1ccnc(N)n1.
What is the InChIKey of (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol?
The InChIKey is HDPPSSFMLUPUGD-WQLSENKSSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-6-18-9-12(17)8-10(2)7-11-4-5-15-13(14)16-11/h3-5,8,10,17H,1,6-7,9H2,2H3,(H2,14,15,16)/b12-8-.
What are the key properties of (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol?
(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol has a molecular weight of 249.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol is sourced from PubChem (CID 143464428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).